SCHEMBL4727353

SCHEMBL4727353

N#CC1CCCN1C(=O)CC(NC1CCCCC1)c1ccc(Oc2ccc(Nc3ccccn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 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
SCHEMBL8210445 0.83 DPP4 (0.47) DPP4
SCHEMBL4727350 0.83 DPP4 (0.47) DPP4
SCHEMBL4725994 0.77 DPP4 (0.64) DPP4
SCHEMBL4725996 0.77 DPP4 (0.64) DPP4
SCHEMBL8215243 0.75 DPP4 (0.53) DPP4
SCHEMBL4782420 0.74 DPP4 (0.57) DPP4
SCHEMBL8215211 0.71 DPP4 (0.46) DPP4
SCHEMBL4919720 0.70 DPP4 (0.59) DPP4
SCHEMBL4966643 0.68 DPP4 (1.00) DPP4
SCHEMBL1614514 0.68 DPP4 (1.00) 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
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed