SCHEMBL289512

SCHEMBL289512

CN1C(=O)Cc2ccc(-c3ccc(CC(C#N)C4CCCCO4)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.54
CTSK P43235 5/20 0.53

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
SCHEMBL289369 0.83 CTSC (0.53) CTSCCTSK
SCHEMBL16070997 0.76 CTSC (0.59) CTSCCTSK
SCHEMBL289370 0.75 CTSC (0.72) CTSCCTSK
SCHEMBL3701201 0.73 CTSC (0.65) CTSCCTSK
SCHEMBL3697717 0.73 CTSC (0.70) CTSCCTSK
SCHEMBL3697720 0.73 CTSC (0.70) CTSCCTSK
SCHEMBL299206 0.71 CTSC (0.53) CTSCCTSK
SCHEMBL21013536 0.70 CTSC (0.49) CTSCCTSK
SCHEMBL2891283 0.70 CTSC (1.00) CTSCCTSK
SCHEMBL2891287 0.70 CTSC (1.00) 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
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP claimed