SCHEMBL22643200

SCHEMBL22643200

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

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.58
▸ CTSK P43235 18/20 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
SCHEMBL16075181 0.95 CTSC (0.65) CTSCCTSK
SCHEMBL16064129 0.93 CTSC (0.67) CTSCCTSK
SCHEMBL16064329 0.93 CTSC (0.67) CTSCCTSK
SCHEMBL16064327 0.93 CTSC (0.65) CTSCCTSK
SCHEMBL16064454 0.93 CTSC (0.63) CTSCCTSK
SCHEMBL16075180 0.92 CTSC (0.67) CTSCCTSK
SCHEMBL16075182 0.92 CTSC (0.65) CTSCCTSK
SCHEMBL16064470 0.91 CTSC (0.67) CTSCCTSK
SCHEMBL22642814 0.91 CTSC (0.67) CTSCCTSK
SCHEMBL16064250 0.91 CTSC (0.65) 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
Send feedback