SCHEMBL4701237

SCHEMBL4701237

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.36
CTSK P43235 14/20 0.36
CTSL P07711 15/20 0.34
CTSB P07858 14/20 0.34
WNT3A P56704 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL4703010 0.90 CTSS (0.37) CTSSCTSKCTSLCTSB
SCHEMBL4699979 0.90 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL4703971 0.90 CTSS (0.37) CTSSCTSKCTSLCTSB
SCHEMBL4701807 0.89 TGFBR1 (0.36) CTSSCTSKCTSLCTSB
SCHEMBL4702148 0.89 CTSS (0.40) CTSSCTSKCTSLCTSB
SCHEMBL4699905 0.88 CTSS (0.41) CTSSCTSKCTSLCTSBTBK1
SCHEMBL4703250 0.88 CTSL (0.46) CTSSCTSKCTSLCTSB
SCHEMBL4703327 0.88 CTSL (0.46) CTSSCTSKCTSLCTSB
SCHEMBL4701723 0.87 KDM4E (0.35) CTSSCTSKCTSLCTSBTBK1
SCHEMBL4702728 0.87 RORC (0.35) 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 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