SCHEMBL4637683

SCHEMBL4637683

CC(C)(CCn1nc(-c2cccnc2)cc1C(F)(F)F)NCC(=O)N1CCCC1C#N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP9 Q86TI2 3/20 0.51
DPP8 Q6V1X1 3/20 0.51
DPP7 Q9UHL4 1/20 0.49

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
SCHEMBL667023 1.00 DPP4 (0.51) DPP4DPP9DPP8DPP7
SCHEMBL666253 0.93 DPP4 (0.58) DPP4DPP9DPP8DPP7
SCHEMBL4605702 0.93 DPP4 (0.58) DPP4DPP9DPP8DPP7
SCHEMBL4603612 0.90 DPP4 (0.55) DPP4DPP9DPP8DPP7
SCHEMBL666762 0.90 DPP4 (0.55) DPP4DPP9DPP8DPP7
SCHEMBL666766 0.85 DPP4 (0.51) DPP4DPP9DPP8DPP7
SCHEMBL663961 0.85 DPP4 (0.56) DPP4DPP9DPP8DPP7
SCHEMBL4605387 0.85 DPP4 (0.56) DPP4DPP9DPP8DPP7
SCHEMBL666277 0.84 DPP4 (0.54) DPP4DPP9DPP8DPP7
SCHEMBL666989 0.84 DPP4 (0.57) DPP4DPP9DPP8DPP7

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