SCHEMBL16064675

SCHEMBL16064675

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.39
▸ HTRA1 Q92743 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ TGFBR1 P36897 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.32

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
SCHEMBL16064609 0.87 CTSC (0.43) —
SCHEMBL18643728 0.86 PREP (0.42) PREPHTRA1DPP4XIAPELANE
SCHEMBL16064115 0.86 PREP (0.42) PREPHTRA1DPP4XIAPELANE
SCHEMBL16064424 0.85 PREP (0.41) PREPHTRA1DPP4XIAPELANE
SCHEMBL22643283 0.85 PREP (0.41) PREPHTRA1DPP4XIAPELANE
SCHEMBL16064560 0.82 CTSC (0.46) PREPDPP4
SCHEMBL21076252 0.81 PREP (0.38) PREPHTRA1DPP4XIAP
SCHEMBL21173320 0.81 PREP (0.38) PREPHTRA1DPP4XIAPELANE
SCHEMBL22642863 0.81 PREP (0.40) PREPHTRA1DPP4XIAPGPR119
SCHEMBL20384053 0.81 PREP (0.40) PREPHTRA1DPP4XIAPGPR119

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 2 patents. 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
WO-2014140075-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
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