SCHEMBL4594423

SCHEMBL4594423

Cc1cc(-c2nc(CC(C)(C)NCC(=O)N3CCCC3C#N)c(C)o2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.55
DPP7 Q9UHL4 3/20 0.49
DPP8 Q6V1X1 2/20 0.48
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
SCHEMBL667317 1.00 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL666221 0.87 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL4594320 0.87 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL662815 0.87 DPP4 (0.59) DPP4DPP7DPP8DPP9
SCHEMBL666163 0.87 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL7068756 0.87 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL664089 0.86 DPP4 (0.51) DPP4DPP7DPP8
SCHEMBL664051 0.84 DPP4 (0.45) DPP4DPP7DPP8DPP9
SCHEMBL4594388 0.81 PREP (0.40) DPP4
SCHEMBL6825229 0.81 PPARA (0.43) DPP4

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