SCHEMBL4704763

SCHEMBL4704763

Cc1nsc(N(CC#N)C(=O)[C@@H](N)CC(C)C)c1-c1ccc(N2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.43
CTSL P07711 17/20 0.43
CTSB P07858 16/20 0.43
CTSK P43235 15/20 0.43

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
SCHEMBL4702624 0.89 RORC (0.40) CTSSCTSLCTSBCTSK
SCHEMBL6235527 0.88 CTSL (0.44) CTSSCTSLCTSBCTSK
SCHEMBL4703889 0.88 CTSS (0.37) CTSSCTSLCTSBCTSK
SCHEMBL4703732 0.83 ME2 (0.43) CTSSCTSLCTSBCTSK
SCHEMBL4698852 0.81 CTSK (0.39) CTSSCTSLCTSBCTSK
SCHEMBL4700965 0.81 BRD4 (0.36) CTSB
SCHEMBL4699954 0.79 CTSL (0.37) CTSSCTSLCTSBCTSK
SCHEMBL4701287 0.76 CTSL (0.35) CTSSCTSLCTSBCTSK
SCHEMBL4699247 0.74 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL4701807 0.73 TGFBR1 (0.36) CTSSCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed