SCHEMBL6209030

SCHEMBL6209030

CC(C)CC(Oc1ccc(-c2ccc(N3CCN(C(=O)O)CC3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.53
CTSK P43235 13/20 0.53
CTSL P07711 14/20 0.52
CTSB P07858 13/20 0.52

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
SCHEMBL6208357 0.92 CTSK (0.60) CTSSCTSKCTSLCTSB
SCHEMBL4699184 0.88 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL4701781 0.88 CTSL (0.68) CTSSCTSKCTSLCTSB
SCHEMBL4699481 0.86 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL4704586 0.82 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL6210052 0.82 CTSK (0.57) CTSSCTSKCTSLCTSB
SCHEMBL4702186 0.81 CTSK (0.64) CTSSCTSKCTSLCTSB
SCHEMBL6208924 0.81 CTSK (0.59) CTSSCTSKCTSLCTSB
SCHEMBL4699757 0.81 CTSK (0.59) CTSSCTSKCTSLCTSB
SCHEMBL4698932 0.80 CTSS (0.71) CTSSCTSKCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP claimed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP claimed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO claimed