SCHEMBL22643099

SCHEMBL22643099

C[C@@H](C(=O)N[C@H](C#N)Cc1ccc(-c2cnn(CC3CCCO3)c2)cc1F)N(C(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 18/20 0.61

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
SCHEMBL16064279 0.80 CTSC (0.67) CTSCCTSK
SCHEMBL16064268 0.80 CTSC (0.67) CTSCCTSK
SCHEMBL16064125 0.80 CTSC (0.67) CTSCCTSK
SCHEMBL16064035 0.80 CTSC (0.67) CTSCCTSK
SCHEMBL16064733 0.76 CTSC (1.00) CTSCCTSK
SCHEMBL16064688 0.76 CTSC (1.00) CTSCCTSK
SCHEMBL16064611 0.76 CTSC (1.00) CTSCCTSK
SCHEMBL16064500 0.75 CTSC (1.00) CTSCCTSK
SCHEMBL22643014 0.73 CTSC (0.62) CTSCCTSK
SCHEMBL24981707 0.73 CTSC (0.62) 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