SCHEMBL22643402

SCHEMBL22643402

CSc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)c(F)c2F)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.78
▸ CTSK P43235 17/20 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
SCHEMBL16064755 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22643392 0.87 CTSC (0.81) CTSCCTSK
SCHEMBL16064735 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL22643266 0.81 CTSC (0.75) CTSCCTSK
SCHEMBL18828815 0.81 CTSC (0.77) CTSCCTSK
SCHEMBL22643057 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL16078859 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL16064481 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL22642938 0.78 CTSC (0.80) CTSCCTSK
SCHEMBL16064629 0.77 CTSC (1.00) 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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