SCHEMBL22642795

SCHEMBL22642795

CC1C2C3CC(C12)N(C(=O)OC(C)(C)C)C3C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3c(c2)CNC3=O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.58
▸ CTSK P43235 15/20 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
SCHEMBL22643265 1.00 CTSC (0.58) CTSCCTSK
SCHEMBL21076203 1.00 CTSC (0.58) CTSCCTSK
SCHEMBL19155066 1.00 CTSC (0.58) CTSCCTSK
SCHEMBL21076205 1.00 CTSC (0.58) CTSCCTSK
SCHEMBL19155136 1.00 CTSC (0.58) CTSCCTSK
SCHEMBL19155093 0.94 CTSC (0.59) CTSCCTSK
SCHEMBL19155005 0.94 CTSC (0.59) CTSCCTSK
SCHEMBL16064274 0.91 CTSC (0.66) CTSCCTSK
SCHEMBL19155334 0.89 CTSC (0.61) CTSCCTSK
SCHEMBL21076206 0.89 CTSC (0.61) 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