SCHEMBL4757194

SCHEMBL4757194

CC1C[C@@H](C(=O)NCC#N)N(c2ccn(-c3ccc(N4CCNCC4)cc3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.40
CTSB P07858 14/20 0.40
CTSL P07711 10/20 0.40
CTSK P43235 14/20 0.40

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
SCHEMBL4699320 1.00 CTSS (0.40) CTSSCTSBCTSLCTSK
SCHEMBL4702476 0.85 CTSK (0.40) CTSSCTSBCTSLCTSK
SCHEMBL4699876 0.84 CTSS (0.40) CTSSCTSBCTSLCTSK
SCHEMBL4698762 0.81 CTSK (0.43) CTSSCTSBCTSLCTSK
SCHEMBL4704053 0.81 CTSL (0.42) CTSSCTSBCTSLCTSK
SCHEMBL4701372 0.80 CTSL (0.43) CTSSCTSBCTSLCTSK
SCHEMBL4703410 0.79 CTSS (0.42) CTSSCTSBCTSLCTSK
SCHEMBL4701788 0.79 CTSS (0.43) CTSSCTSBCTSLCTSK
SCHEMBL4699916 0.79 CTSB (0.54) CTSSCTSBCTSLCTSK
SCHEMBL4699833 0.78 CTSS (0.44) CTSSCTSBCTSLCTSK

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 claimed