SCHEMBL289966

SCHEMBL289966

CN1Cc2cc(-c3ccc(CC(C#N)NC(=O)C4CCOCC4)cc3)cnc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.54
CTSK P43235 5/20 0.54

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
SCHEMBL2890772 0.85 CTSC (0.74) CTSCCTSK
SCHEMBL2890767 0.85 CTSC (0.74) CTSCCTSK
SCHEMBL16478355 0.84 CTSC (0.38) CTSCCTSK
SCHEMBL16478360 0.82 CTSC (0.50) CTSCCTSK
SCHEMBL16485760 0.79 CTSC (0.62) CTSCCTSK
SCHEMBL2885213 0.79 CTSC (0.54) CTSCCTSK
SCHEMBL2885215 0.79 CTSC (0.54) CTSCCTSK
SCHEMBL289965 0.77 CTSC (0.39) CTSCCTSK
SCHEMBL2891136 0.77 CTSC (0.51) CTSCCTSK
SCHEMBL289370 0.76 CTSC (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP claimed
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP disclosed
WO-2011154677-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 ASTRAZENECA AB (SE) 2011-12-15 WO disclosed