SCHEMBL4594463

SCHEMBL4594463

C[N+](C)(CCNc1nnc(-c2ccccc2)o1)CC(=O)N1CCCC1C#N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.47
PREP P48147 4/20 0.45
DPP7 Q9UHL4 4/20 0.43
DPP8 Q6V1X1 3/20 0.43
FAP Q12884 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL6828026 1.00 DPP4 (0.47) DPP4PREPDPP7DPP8FAP
SCHEMBL4594040 0.84 DPP4 (0.46) DPP4PREPDPP7DPP8
SCHEMBL6828008 0.82 DPP4 (0.45) DPP4PREPDPP7FAP
SCHEMBL4594472 0.82 DPP4 (0.52) DPP4PREPDPP7DPP8FAP
SCHEMBL664025 0.80 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL4594280 0.79 HRH3 (0.48) DPP4PREPDPP7DPP8FAP
SCHEMBL6830113 0.79 HRH3 (0.48) DPP4PREPDPP7DPP8FAP
SCHEMBL6828173 0.78 DPP4 (0.44) DPP4PREPDPP7DPP8FAP
SCHEMBL4593481 0.78 DPP4 (0.44) DPP4PREPDPP7DPP8FAP
SCHEMBL6830053 0.78 PREP (0.42) DPP4PREPDPP7

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-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed