SCHEMBL4701287

SCHEMBL4701287

Cc1nsc(N(CC#N)C(=O)[C@@H](N)CC(C)C)c1-c1ccc(N2CCNCC2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.35
CTSS P25774 10/20 0.35
CTSB P07858 9/20 0.35
CTSK P43235 8/20 0.35
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
PRKD1 Q15139 1/20 0.32

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
SCHEMBL6235527 0.87 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4700769 0.84 CTSL (0.38) CTSLCTSSCTSBCTSKUSP28
SCHEMBL4698852 0.77 CTSK (0.39) CTSLCTSSCTSBCTSK
SCHEMBL4702624 0.77 RORC (0.40) CTSLCTSSCTSBCTSK
SCHEMBL4699954 0.77 CTSL (0.37) CTSLCTSSCTSBCTSK
SCHEMBL4700965 0.76 BRD4 (0.36) CTSB
SCHEMBL4704763 0.76 CTSS (0.43) CTSLCTSSCTSBCTSK
SCHEMBL4703889 0.76 CTSS (0.37) CTSLCTSSCTSBCTSK
SCHEMBL4701283 0.75 CTSL (0.54) CTSLCTSSCTSBCTSKPRKD1
SCHEMBL4704047 0.75 CTSL (0.54) CTSLCTSSCTSBCTSKPRKD1

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