SCHEMBL4603418

SCHEMBL4603418

Cc1[nH]c(-c2cccc(OC(F)(F)F)c2)nc1CC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.58
PREP P48147 2/20 0.49
DPP7 Q9UHL4 1/20 0.48
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 1/20 0.47

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
SCHEMBL666070 1.00 DPP4 (0.58) DPP4PREPDPP7DPP8DPP9
SCHEMBL1436146 0.92 PREP (0.55) DPP4PREPDPP7DPP8DPP9
SCHEMBL666648 0.92 PREP (0.55) DPP4PREPDPP7DPP8DPP9
SCHEMBL4604929 0.90 DPP4 (0.52) DPP4PREPDPP7DPP8DPP9
SCHEMBL664903 0.90 DPP4 (0.52) DPP4PREPDPP7DPP8DPP9
SCHEMBL4603598 0.89 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL665759 0.89 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL1436234 0.89 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL664943 0.89 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL4605062 0.89 DPP4 (0.57) DPP4DPP7DPP8DPP9

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