SCHEMBL4594549

SCHEMBL4594549

N#CC1CCCN1C(=O)CNCCOc1ccc2ncccc2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.68
PREP P48147 6/20 0.58
DPP8 Q6V1X1 3/20 0.50
DPP7 Q9UHL4 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 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
SCHEMBL666575 1.00 DPP4 (0.68) DPP4PREPDPP8DPP7ADRB2
SCHEMBL665727 0.80 DPP4 (0.74) DPP4PREPDPP8DPP7ADRB2
SCHEMBL4594224 0.80 DPP4 (0.74) DPP4PREPDPP8DPP7ADRB2
Dimethylamine SCHEMBL665728 0.79 DPP4 (0.94) DPP4PREPDPP8DPP7ADRB2
Dimethylamine SCHEMBL4594227 0.79 DPP4 (0.94) DPP4PREPDPP8DPP7ADRB2
SCHEMBL23359762 0.79 HRH3 (0.53) DPP4PREPDPP7
SCHEMBL23359765 0.79 HRH3 (0.53) DPP4PREPDPP7
SCHEMBL23379295 0.77 HRH3 (0.50) DPP4PREPDPP7
SCHEMBL23359823 0.77 HRH3 (0.50) DPP4PREPDPP7
SCHEMBL23359821 0.77 HRH3 (0.50) DPP4PREPDPP7

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 4 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
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed