SCHEMBL22642962

SCHEMBL22642962

C[C@H]1C2C3CC(C21)N(C)C3C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3c(cnn3C)c2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.67
▸ CTSK P43235 12/20 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
SCHEMBL21966183 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL21966182 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL22642956 0.85 CTSC (0.62) CTSCCTSK
SCHEMBL21076297 0.85 CTSC (0.84) CTSCCTSK
SCHEMBL22642989 0.85 CTSC (0.84) CTSCCTSK
SCHEMBL21076298 0.85 CTSC (0.84) CTSCCTSK
SCHEMBL22642831 0.85 CTSC (0.60) CTSCCTSK
SCHEMBL22642970 0.84 CTSC (0.51) CTSCCTSK
SCHEMBL19155091 0.83 CTSC (0.61) CTSCCTSK
SCHEMBL22642799 0.83 CTSC (0.49) 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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