SCHEMBL22643115

SCHEMBL22643115

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC(N)Cc1ccc(-c2ccoc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 16/20 0.45
▸ CTSK P43235 12/20 0.45
▸ PREP P48147 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ GPR119 Q8TDV5 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
SCHEMBL22643120 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL21966180 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL16075189 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL22642801 0.86 CTSC (0.48) CTSCCTSKPREPDPP4GPR119
SCHEMBL22643251 0.86 CTSC (0.47) CTSCCTSKPREPDPP4
SCHEMBL26079728 0.85 PREP (0.43) CTSCCTSKPREPDPP4GPR119
SCHEMBL22643077 0.84 CTSC (0.48) CTSCCTSKPREPDPP4GPR119
SCHEMBL22643244 0.84 CTSC (0.51) CTSCCTSK
SCHEMBL22642850 0.84 CTSC (0.51) CTSCCTSKPREPDPP4
SCHEMBL22643183 0.84 CTSC (0.48) 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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