SCHEMBL22643096

SCHEMBL22643096

Cc1cc(-c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ CTSK P43235 18/20 1.00

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
SCHEMBL16064706 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16064683 0.87 CTSC (0.78) CTSCCTSK
SCHEMBL22643142 0.85 CTSC (0.76) CTSCCTSK
SCHEMBL16064280 0.85 CTSC (0.76) CTSCCTSK
SCHEMBL22643119 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16042410 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL19368125 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL29809195 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16064237 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16064703 0.84 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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