SCHEMBL22046316

SCHEMBL22046316

N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC45CCC35)cc2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.69
▸ CTSK P43235 5/20 0.69

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
SCHEMBL22046116 1.00 CTSC (0.69) CTSCCTSK
SCHEMBL16356744 0.94 CTSC (0.70) CTSCCTSK
SCHEMBL15084017 0.82 CTSC (0.72) CTSCCTSK
SCHEMBL16071152 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL16048989 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL16071109 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL15064889 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL19186786 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL19187241 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL14821993 0.80 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-2970252-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
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