SCHEMBL22642992

SCHEMBL22642992

C[C@H]1[C@H]2[C@H]3C[C@H](N[C@@H]3C(=O)N[C@H](N)Cc3ccc(-c4ccc5c(cnn5C)c4)cc3F)[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.66
▸ CTSK P43235 12/20 0.58

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
SCHEMBL21076298 0.89 CTSC (0.84) CTSCCTSK
SCHEMBL21076297 0.89 CTSC (0.84) CTSCCTSK
SCHEMBL22642989 0.89 CTSC (0.84) CTSCCTSK
SCHEMBL21076293 0.84 CTSC (0.83) CTSCCTSK
SCHEMBL22643021 0.84 CTSC (0.83) CTSCCTSK
SCHEMBL21076294 0.84 CTSC (0.83) CTSCCTSK
SCHEMBL22643001 0.83 CTSC (0.62) CTSCCTSK
SCHEMBL19155013 0.81 CTSC (0.86) CTSCCTSK
SCHEMBL22643480 0.80 CTSC (0.64) CTSCCTSK
SCHEMBL16064119 0.79 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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