SCHEMBL6168621

SCHEMBL6168621

CSc1ccc(-c2ccc([C@@H](OC(CC(C)C)C(=O)NCC#N)C(F)(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.66
CTSS P25774 18/20 0.66
CTSK P43235 17/20 0.66
CTSB P07858 16/20 0.66

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
SCHEMBL5514058 1.00 CTSL (0.66) CTSLCTSSCTSKCTSB
SCHEMBL6170188 0.85 CTSK (0.67) CTSLCTSSCTSKCTSB
SCHEMBL5523854 0.85 CTSK (0.67) CTSLCTSSCTSKCTSB
SCHEMBL5514769 0.84 CTSK (0.63) CTSLCTSSCTSKCTSB
SCHEMBL5518382 0.84 CTSK (0.57) CTSLCTSSCTSKCTSB
SCHEMBL5512632 0.81 CTSL (0.70) CTSLCTSSCTSKCTSB
SCHEMBL2156992 0.80 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL2156187 0.80 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL6182313 0.79 CTSS (0.53) CTSLCTSSCTSKCTSB
SCHEMBL5516546 0.79 CTSS (0.53) CTSLCTSSCTSKCTSB

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