SCHEMBL22643133

SCHEMBL22643133

CC(C)Cn1cc(-c2ccc(C[C@@H](N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.80
▸ CTSK P43235 19/20 0.80

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
SCHEMBL22643250 0.91 CTSC (0.71) CTSCCTSK
SCHEMBL22642965 0.91 CTSC (0.80) CTSCCTSK
SCHEMBL22642919 0.89 CTSC (0.79) CTSCCTSK
SCHEMBL16064773 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL22642981 0.89 CTSC (0.80) CTSCCTSK
SCHEMBL22643242 0.88 CTSC (0.79) CTSCCTSK
SCHEMBL22642923 0.86 CTSC (0.81) CTSCCTSK
SCHEMBL22643037 0.84 CTSC (0.80) CTSCCTSK
SCHEMBL22643441 0.84 CTSC (0.80) CTSCCTSK
SCHEMBL22643433 0.83 CTSC (0.80) 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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