\label{cathgip} Cathepsin G interaction points that defined the shape constraint query with the most significant enrichment. The interaction points (magenta spheres) and fragment (magenta sticks) delineate only half the molecule and are located near a charge-charge interaction and aromatic interaction.  Unlike molecular similarity, shape constraints are capable of selecting molecules that sterically match these features while ignoring the remainder of the query ligand shape and avoiding significant clashes with the receptor shape (for this query the receptor was reduced by 1.5{\AA}).