SCHEMBL22643012

SCHEMBL22643012

CN(C)CCN1C(=O)Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4C5CC[C@H](C5)N4C(=O)OC(C)(C)C)c(F)c3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.67
▸ CTSK P43235 11/20 0.60

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
SCHEMBL16645150 1.00 CTSC (0.67) CTSCCTSK
SCHEMBL16078821 0.95 CTSC (0.67) CTSCCTSK
SCHEMBL16064442 0.92 CTSC (0.68) CTSCCTSK
SCHEMBL16078822 0.87 CTSC (0.72) CTSCCTSK
SCHEMBL16064050 0.87 CTSC (0.59) CTSCCTSK
SCHEMBL16064159 0.87 CTSC (0.68) CTSCCTSK
SCHEMBL16064133 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL22642843 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL16064534 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL16064105 0.86 CTSC (0.66) 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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