SCHEMBL22642822

SCHEMBL22642822

CC(C)(C)OC(=O)N1[C@@H]2CCC(C2)[C@H]1C(=O)NC(C#N)Cc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1F

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.63
▸ CTSK P43235 15/20 0.63

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
SCHEMBL16064510 1.00 CTSC (0.63) CTSCCTSK
SCHEMBL22643185 0.95 CTSC (0.63) CTSCCTSK
SCHEMBL16064541 0.95 CTSC (0.63) CTSCCTSK
SCHEMBL16064255 0.91 CTSC (0.64) CTSCCTSK
SCHEMBL14821954 0.91 CTSC (0.61) CTSCCTSK
SCHEMBL18828567 0.88 CTSC (0.64) CTSCCTSK
SCHEMBL16065206 0.88 CTSC (0.64) CTSCCTSK
SCHEMBL22642904 0.87 CTSC (0.49) CTSCCTSK
SCHEMBL16070953 0.87 CTSC (0.62) CTSCCTSK
SCHEMBL16078742 0.87 CTSC (0.52) 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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