SCHEMBL4699481

SCHEMBL4699481

CC(C)CC(OCc1ccc(-c2ccc(N3CCN(C(=O)O)CC3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.51
CTSK P43235 16/20 0.51
CTSL P07711 16/20 0.51
CTSB P07858 15/20 0.51

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
SCHEMBL6210052 0.91 CTSK (0.57) CTSSCTSKCTSLCTSB
SCHEMBL4701698 0.89 CTSS (0.66) CTSSCTSKCTSLCTSB
SCHEMBL4698804 0.89 CTSL (0.66) CTSSCTSKCTSLCTSB
SCHEMBL6209030 0.86 CTSS (0.53) CTSSCTSKCTSLCTSB
SCHEMBL4701701 0.85 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL6208701 0.83 CTSS (0.48) CTSSCTSKCTSLCTSB
SCHEMBL4699259 0.82 CTSK (0.60) CTSSCTSKCTSLCTSB
SCHEMBL6208357 0.82 CTSK (0.60) CTSSCTSKCTSLCTSB
SCHEMBL4699860 0.81 CTSK (0.72) CTSSCTSKCTSLCTSB
SCHEMBL4700960 0.80 CTSS (0.68) 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 4 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
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed