SCHEMBL22642831

SCHEMBL22642831

CC1C2C3CC(C12)N(C)C3C(=O)N[C@H](C#N)Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.60
▸ CTSK P43235 11/20 0.60

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
SCHEMBL22642970 0.89 CTSC (0.51) CTSCCTSK
SCHEMBL22642964 0.88 CTSC (0.50) CTSCCTSK
SCHEMBL22642799 0.88 CTSC (0.49) CTSCCTSK
SCHEMBL22642956 0.87 CTSC (0.62) CTSCCTSK
SCHEMBL22642955 0.85 CTSC (0.67) CTSCCTSK
SCHEMBL22642962 0.85 CTSC (0.67) CTSCCTSK
SCHEMBL21076240 0.82 CTSC (0.80) CTSCCTSK
SCHEMBL19155179 0.80 CTSC (0.54) CTSCCTSK
SCHEMBL19155269 0.78 CTSC (0.82) CTSCCTSK
SCHEMBL19368421 0.78 CTSC (0.82) 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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