SCHEMBL22643418

SCHEMBL22643418

CC(=O)N1CCN(C(=O)Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.80
▸ CTSK P43235 13/20 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
SCHEMBL16078748 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16078871 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16064287 0.84 CTSC (0.79) CTSCCTSK
SCHEMBL22643408 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16064690 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16078835 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16064600 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16078750 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL22642996 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064693 0.82 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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