SCHEMBL22642907

SCHEMBL22642907

COC(=O)c1cc(-c2ccc(C[C@@H](N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.79
▸ CTSK P43235 12/20 0.79

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
SCHEMBL16064693 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22643473 0.86 CTSC (0.80) CTSCCTSK
SCHEMBL22643256 0.83 CTSC (0.77) CTSCCTSK
SCHEMBL22643136 0.81 CTSC (0.79) CTSCCTSK
SCHEMBL22642935 0.81 CTSC (0.77) CTSCCTSK
SCHEMBL22643008 0.80 CTSC (0.78) CTSCCTSK
SCHEMBL16064355 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL22643289 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL22643238 0.80 CTSC (0.77) CTSCCTSK
SCHEMBL16064309 0.79 CTSC (1.00) 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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