SCHEMBL22643368

SCHEMBL22643368

C[S+]([O-])c1cc(-c2ccc(CC(C#N)NC(=O)[C@H]3NC4CCC3C4)c(F)c2)ccc1C#N

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.81
▸ CTSK P43235 16/20 0.81

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
SCHEMBL22642980 0.94 CTSC (0.78) CTSCCTSK
SCHEMBL22643266 0.90 CTSC (0.75) CTSCCTSK
SCHEMBL16064217 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL22643125 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL16064590 0.89 CTSC (0.79) CTSCCTSK
SCHEMBL22643187 0.89 CTSC (0.79) CTSCCTSK
SCHEMBL22643505 0.89 CTSC (0.75) CTSCCTSK
SCHEMBL16064154 0.89 CTSC (0.75) CTSCCTSK
SCHEMBL16064722 0.87 CTSK (0.78) CTSCCTSK
SCHEMBL22643179 0.87 CTSK (0.78) 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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