SCHEMBL4701995

SCHEMBL4701995

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.37
CTSS P25774 11/20 0.37
CTSL P07711 9/20 0.36
CTSB P07858 7/20 0.36
SYK P43405 1/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL4701632 0.88 FNTA (0.34)
SCHEMBL4699525 0.87 CTSL (0.38) CTSKCTSSCTSLCTSB
SCHEMBL4703027 0.87 CTSK (0.31) CTSKCTSSCTSLCTSB
SCHEMBL4703631 0.85 CTSL (0.39) CTSKCTSSCTSLCTSBCA2
SCHEMBL4702728 0.84 RORC (0.35) CTSKCTSSCTSLCTSB
SCHEMBL4701440 0.83 CTSL (0.40) CTSKCTSSCTSLCTSBSYK
SCHEMBL4705219 0.82 F11 (0.32)
SCHEMBL4699905 0.81 CTSS (0.41) CTSKCTSSCTSLCTSBSYK
SCHEMBL4703250 0.81 CTSL (0.46) CTSKCTSSCTSLCTSB
SCHEMBL4701807 0.81 TGFBR1 (0.36) CTSKCTSSCTSLCTSB

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