SCHEMBL22642792

SCHEMBL22642792

Cc1nc(C)c(-c2ccc(C[C@@H](N)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)c(F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 16/20 0.49
▸ CTSK P43235 11/20 0.49
▸ PREP P48147 1/20 0.37
▸ DPP4 P27487 1/20 0.36

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
SCHEMBL16064291 0.90 CTSC (0.64) CTSCCTSK
SCHEMBL22643077 0.85 CTSC (0.48) CTSCCTSKPREPDPP4
SCHEMBL22642801 0.85 CTSC (0.48) CTSCCTSKPREPDPP4
SCHEMBL22642810 0.84 PREP (0.39) CTSCCTSKPREPDPP4
SCHEMBL22643183 0.84 CTSC (0.48) CTSCCTSKPREPDPP4
SCHEMBL22643180 0.83 CTSC (0.49) CTSCCTSKPREPDPP4
SCHEMBL22643251 0.83 CTSC (0.47) CTSCCTSKPREPDPP4
SCHEMBL22642850 0.83 CTSC (0.51) CTSCCTSKPREPDPP4
SCHEMBL26079728 0.82 PREP (0.43) CTSCCTSKPREPDPP4
SCHEMBL22643115 0.82 CTSC (0.45) CTSCCTSKPREPDPP4

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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