SCHEMBL22643083

SCHEMBL22643083

CN1CCCN([S+]([O-])c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4NC5CCC4C5)c(F)c3)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.76
▸ CTSK P43235 11/20 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
SCHEMBL17620431 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16064631 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL22643187 0.85 CTSC (0.79) CTSCCTSK
SCHEMBL16064590 0.85 CTSC (0.79) CTSCCTSK
SCHEMBL16064644 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL22643106 0.84 CTSC (0.77) CTSCCTSK
SCHEMBL16078843 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL22643188 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16064602 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16064727 0.83 CTSC (0.87) 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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