SCHEMBL22046121

SCHEMBL22046121

N#C[C@H](Cc1ccc(-c2ccc(SN)cc2)cc1)NC(=O)[C@H]1NC2CCC1CC2

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.78
▸ CTSK P43235 9/20 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
SCHEMBL22046351 0.88 CTSC (0.75) CTSCCTSK
SCHEMBL16071104 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16071096 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16071157 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16071156 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16070990 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL22045588 0.83 CTSC (0.80) CTSCCTSK
SCHEMBL16070989 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16071098 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL14822287 0.82 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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