SCHEMBL22643504

SCHEMBL22643504

Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)c(F)c2)ccc1=O

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 12/20 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
SCHEMBL16064175 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643190 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL16064176 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL22643046 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064276 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL22643439 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064235 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL22643398 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064726 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064520 0.86 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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