SCHEMBL16478376

SCHEMBL16478376

COCCn1cc(-c2ccc(CC(C#N)NC(=O)C3CCCCC3)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 19/20 0.55
▸ CTSK P43235 4/20 0.55
▸ KCNH2 Q12809 3/20 0.47
▸ USP30 Q70CQ3 1/20 0.44

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
SCHEMBL16478373 0.84 CTSC (0.49) CTSCCTSKKCNH2
SCHEMBL16478330 0.83 CTSC (0.60) CTSCCTSKKCNH2USP30
SCHEMBL16485798 0.83 CTSC (0.60) CTSCCTSKKCNH2USP30
SCHEMBL16478331 0.81 CTSC (0.46) CTSCCTSKKCNH2USP30
SCHEMBL16478307 0.78 CTSC (0.43) CTSCCTSKKCNH2USP30
SCHEMBL16478308 0.78 CTSC (0.43) CTSCCTSKKCNH2USP30
SCHEMBL16478342 0.77 CTSC (0.61) CTSCCTSK
SCHEMBL2072173 0.74 CTSC (0.72) CTSCCTSKKCNH2
SCHEMBL16478364 0.73 CTSC (0.52) CTSCCTSKKCNH2
SCHEMBL2072510 0.72 CTSC (0.74) CTSCCTSKKCNH2

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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