SCHEMBL4594224

SCHEMBL4594224

CN(C)c1cccc(OCCNCC(=O)N2CCCC2C#N)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.74
PREP P48147 2/20 0.55
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
DPP8 Q6V1X1 2/20 0.52
DPP7 Q9UHL4 1/20 0.52

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
SCHEMBL665727 1.00 DPP4 (0.74) DPP4PREPADRB2ADRB1DPP8
Dimethylamine SCHEMBL4594227 0.84 DPP4 (0.94) DPP4PREPADRB2ADRB1DPP8
Dimethylamine SCHEMBL665728 0.84 DPP4 (0.94) DPP4PREPADRB2ADRB1DPP8
SCHEMBL4594549 0.80 DPP4 (0.68) DPP4PREPADRB2ADRB1DPP8
SCHEMBL666575 0.80 DPP4 (0.68) DPP4PREPADRB2ADRB1DPP8
SCHEMBL666938 0.75 DPP4 (0.56) DPP4PREPDPP8DPP7
SCHEMBL665335 0.71 DPP4 (0.64) DPP4PREPDPP8DPP7
SCHEMBL4594027 0.71 DPP4 (0.64) DPP4PREPDPP8DPP7
SCHEMBL4419337 0.71 DPP4 (0.82) DPP4DPP8
SCHEMBL4419343 0.71 DPP4 (0.82) DPP4DPP8

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