SCHEMBL22643011

SCHEMBL22643011

CNCCn1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1=O

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.83
▸ CTSK P43235 13/20 0.73

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
SCHEMBL16064776 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL22643190 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064176 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064175 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643504 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL29809223 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16043035 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL22643046 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064276 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064703 0.82 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-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
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