SCHEMBL18828568

SCHEMBL18828568

CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4C5CCC(C5)N4C(=O)OC(C)(C)C)s3)cc21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.66
▸ CTSK P43235 9/20 0.49

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
SCHEMBL16065204 1.00 CTSC (0.66) CTSCCTSK
SCHEMBL16065133 0.90 CTSC (0.65) CTSCCTSK
SCHEMBL18828584 0.90 CTSC (0.66) CTSCCTSK
SCHEMBL16065131 0.90 CTSC (0.66) CTSCCTSK
SCHEMBL15081621 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL16065351 0.89 CTSC (0.67) CTSCCTSK
SCHEMBL18828550 0.88 CTSC (0.66) CTSCCTSK
SCHEMBL16065326 0.88 CTSC (0.66) CTSCCTSK
SCHEMBL22642844 0.88 CTSC (0.65) CTSCCTSK
SCHEMBL22642843 0.88 CTSC (0.65) 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-2970228-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-05-10 — — EP disclosed
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