SCHEMBL22642888

SCHEMBL22642888

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc(C=O)o2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.51
▸ CTSK P43235 17/20 0.51

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
SCHEMBL19368420 0.93 CTSC (0.49) CTSCCTSK
SCHEMBL16064251 0.91 CTSC (0.62) CTSCCTSK
SCHEMBL16078793 0.90 CTSC (0.61) CTSCCTSK
SCHEMBL16064265 0.90 CTSC (0.56) CTSCCTSK
SCHEMBL16064061 0.90 CTSC (0.64) CTSCCTSK
SCHEMBL16078810 0.89 CTSC (0.62) CTSCCTSK
SCHEMBL22642998 0.89 CTSC (0.51) CTSCCTSK
SCHEMBL22643215 0.88 CTSC (0.49) CTSCCTSK
SCHEMBL22643103 0.87 CTSC (0.61) CTSCCTSK
SCHEMBL16064026 0.87 CTSC (0.61) 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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