SCHEMBL4593635

SCHEMBL4593635

COc1ccc(-c2cccc(NCCNCC(=O)N3CCCC3C#N)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.63
PREP P48147 2/20 0.57
DPP7 Q9UHL4 2/20 0.56
DPP8 Q6V1X1 1/20 0.56

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
SCHEMBL686817 1.00 DPP4 (0.63) DPP4PREPDPP7DPP8
SCHEMBL667338 0.92 DPP4 (0.61) DPP4PREPDPP7DPP8
SCHEMBL4593424 0.92 DPP4 (0.61) DPP4PREPDPP7DPP8
SCHEMBL666255 0.89 DPP4 (0.72) DPP4DPP7DPP8
SCHEMBL4594376 0.89 DPP4 (0.72) DPP4DPP7DPP8
SCHEMBL665237 0.89 DPP4 (0.69) DPP4PREPDPP7DPP8
SCHEMBL1435778 0.89 DPP4 (0.69) DPP4PREPDPP7DPP8
SCHEMBL4593781 0.87 DPP4 (0.63) DPP4PREPDPP7DPP8
SCHEMBL665722 0.87 DPP4 (0.63) DPP4PREPDPP7DPP8
SCHEMBL6828063 0.87 PREP (0.52) DPP4PREPDPP7DPP8

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