SCHEMBL290171

SCHEMBL290171

N#CC(Cc1ccc(-c2ccc(F)c(F)c2)cc1)C1CC(C(N)=O)CCO1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.45
CTSK P43235 6/20 0.36

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
SCHEMBL289986 0.90 CTSC (0.42) CTSC
SCHEMBL289949 0.86 CTSC (0.44) CTSCCTSK
SCHEMBL290044 0.85 CTSC (0.44) CTSC
SCHEMBL290338 0.83 CTSC (0.44) CTSC
SCHEMBL290567 0.82 CTSC (0.51) CTSCCTSK
SCHEMBL288811 0.81 CTSC (0.49) CTSC
SCHEMBL289754 0.80 CTSC (0.52) CTSCCTSK
SCHEMBL289369 0.80 CTSC (0.53) CTSCCTSK
SCHEMBL299868 0.78 CTSC (0.47) CTSCCTSK
SCHEMBL299206 0.78 CTSC (0.53) 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 2 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