SCHEMBL22643249

SCHEMBL22643249

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](N)Cc1ccc(-c2cnn(CC3CCOCC3)c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.53
▸ CTSK P43235 19/20 0.53

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
SCHEMBL16064101 0.91 CTSC (0.66) CTSCCTSK
SCHEMBL22643271 0.90 CTSC (0.52) CTSCCTSK
SCHEMBL22643244 0.90 CTSC (0.51) CTSCCTSK
SCHEMBL22642933 0.89 CTSC (0.51) CTSCCTSK
SCHEMBL16064440 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL16064427 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL22643121 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL16064059 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL16078729 0.83 CTSC (0.52) CTSCCTSK
SCHEMBL22642976 0.83 CTSC (0.59) 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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