SCHEMBL4604585

SCHEMBL4604585

Cc1cc(-c2ccncc2)nn1CCC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.55
DPP8 Q6V1X1 5/20 0.54
DPP9 Q86TI2 4/20 0.54
PREP P48147 1/20 0.50
DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL665519 1.00 DPP4 (0.55) DPP4DPP8DPP9PREPDPP7
SCHEMBL663644 0.94 DPP4 (0.61) DPP4DPP8DPP9PREPDPP7
SCHEMBL4603154 0.94 DPP4 (0.61) DPP4DPP8DPP9PREPDPP7
SCHEMBL4603612 0.92 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL666762 0.92 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL665361 0.89 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL4594218 0.89 DPP4 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL7131626 0.89 DPP4 (0.54) DPP4DPP8DPP9DPP7
SCHEMBL665303 0.89 DPP4 (0.54) DPP4DPP8DPP9DPP7
SCHEMBL666479 0.89 DPP4 (0.48) DPP4DPP8DPP9DPP7

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