SCHEMBL22643103

SCHEMBL22643103

CC(C)(C)OC(=O)N1[C@@H]2CCC(C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccco2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 17/20 0.61

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
SCHEMBL16064026 1.00 CTSC (0.61) CTSCCTSK
SCHEMBL16064238 0.89 CTSC (0.56) CTSCCTSK
SCHEMBL16064752 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL16064251 0.89 CTSC (0.62) CTSCCTSK
SCHEMBL16078793 0.88 CTSC (0.61) CTSCCTSK
SCHEMBL16075188 0.88 CTSC (0.63) CTSCCTSK
SCHEMBL21966180 0.88 CTSC (0.60) CTSCCTSK
SCHEMBL16075189 0.88 CTSC (0.60) CTSCCTSK
SCHEMBL22643120 0.88 CTSC (0.60) CTSCCTSK
SCHEMBL16064061 0.87 CTSC (0.64) 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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