SCHEMBL22046329

SCHEMBL22046329

CN1Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)C4NC5CCC4CC5)c(F)c3)ccc2[S+]1[O-]

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.75
▸ CTSK P43235 14/20 0.66

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
SCHEMBL22643134 0.95 CTSC (0.76) CTSCCTSK
SCHEMBL16071113 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16071115 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16043035 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL29809223 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL22046335 0.80 CTSC (0.46) CTSCCTSK
SCHEMBL22643414 0.79 CTSC (1.00) CTSCCTSK
SCHEMBL16064658 0.79 CTSC (1.00) CTSCCTSK
SCHEMBL21013246 0.79 CTSC (0.76) CTSCCTSK
SCHEMBL16064172 0.78 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-2970252-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
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