SCHEMBL22643179

SCHEMBL22643179

C[S+]([O-])c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)c(F)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 20/20 0.78
▸ CTSC P53634 20/20 0.78

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
SCHEMBL16064722 1.00 CTSK (0.78) CTSKCTSC
SCHEMBL22643187 0.93 CTSC (0.79) CTSKCTSC
SCHEMBL16064590 0.93 CTSC (0.79) CTSKCTSC
SCHEMBL16064703 0.88 CTSC (1.00) CTSKCTSC
SCHEMBL22642980 0.87 CTSC (0.78) CTSKCTSC
SCHEMBL22643368 0.87 CTSC (0.81) CTSKCTSC
SCHEMBL22643106 0.87 CTSC (0.77) CTSKCTSC
SCHEMBL22642949 0.86 CTSC (0.84) CTSKCTSC
SCHEMBL22643505 0.86 CTSC (0.75) CTSKCTSC
SCHEMBL16064154 0.86 CTSC (0.75) CTSKCTSC

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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