SCHEMBL22643152

SCHEMBL22643152

CC(C)(C)OC(=O)N1[C@@H]2CCC(C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc(S(C)(=O)=O)c(C#N)c2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.64
▸ CTSK P43235 16/20 0.64

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
SCHEMBL16064418 1.00 CTSC (0.64) CTSCCTSK
SCHEMBL16071075 0.96 CTSC (0.65) CTSCCTSK
SCHEMBL22046334 0.96 CTSC (0.65) CTSCCTSK
SCHEMBL16078801 0.94 CTSC (0.64) CTSCCTSK
SCHEMBL16078728 0.94 CTSC (0.62) CTSCCTSK
SCHEMBL16078756 0.92 CTSC (0.62) CTSCCTSK
SCHEMBL16078802 0.91 CTSC (0.58) CTSCCTSK
SCHEMBL16064544 0.91 CTSC (0.61) CTSCCTSK
SCHEMBL16064080 0.91 CTSC (0.61) CTSCCTSK
SCHEMBL16071093 0.90 CTSC (0.65) 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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