SCHEMBL6182313

SCHEMBL6182313

CC(C)CC(O[C@H](c1ccc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1)C(F)(F)F)C(=O)NCC#N

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.53
CTSL P07711 18/20 0.53
CTSK P43235 17/20 0.53
CTSB P07858 17/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5516546 1.00 CTSS (0.53) CTSSCTSLCTSKCTSB
SCHEMBL5512632 0.87 CTSL (0.70) CTSSCTSLCTSKCTSB
SCHEMBL5512818 0.86 CTSK (0.55) CTSSCTSLCTSKCTSB
SCHEMBL6170188 0.83 CTSK (0.67) CTSSCTSLCTSKCTSB
SCHEMBL5523854 0.83 CTSK (0.67) CTSSCTSLCTSKCTSB
SCHEMBL2155809 0.83 CTSL (0.77) CTSSCTSLCTSKCTSB
SCHEMBL5514058 0.79 CTSL (0.66) CTSSCTSLCTSKCTSB
SCHEMBL6168621 0.79 CTSL (0.66) CTSSCTSLCTSKCTSB
SCHEMBL5514769 0.77 CTSK (0.63) CTSSCTSLCTSKCTSB
SCHEMBL6179388 0.76 CTSK (0.67) CTSSCTSLCTSKCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP claimed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 WO claimed