SCHEMBL16478342

SCHEMBL16478342

COCCN1Cc2cc(-c3ccc(CC(C#N)NC(=O)C4CCCCC4)cc3)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 4/20 0.61

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
SCHEMBL16478354 0.90 CTSC (0.62) CTSCCTSK
SCHEMBL16478353 0.89 CTSC (0.61) CTSCCTSK
SCHEMBL16485786 0.85 CTSC (0.57) CTSCCTSK
SCHEMBL16478079 0.85 CTSC (0.57) CTSCCTSK
SCHEMBL16478153 0.83 CTSC (0.51) CTSCCTSK
SCHEMBL16485761 0.80 CTSC (0.48) CTSCCTSK
SCHEMBL16478376 0.77 CTSC (0.55) CTSCCTSK
SCHEMBL16478351 0.77 CTSC (0.72) CTSCCTSK
SCHEMBL16478131 0.74 CTSC (0.59) CTSCCTSK
SCHEMBL16478091 0.74 CTSC (0.59) CTSCCTSK

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
WO-2011154677-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 ASTRAZENECA AB (SE) 2011-12-15 — — WO disclosed
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