SCHEMBL8210445

SCHEMBL8210445

N#C[C@@H]1CCCN1C(=O)C(Cc1ccc(Oc2ccc(Nc3ccccn3)cc2)cc1)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 3/20 0.46
DPP7 Q9UHL4 3/20 0.46
FAP Q12884 2/20 0.46

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
SCHEMBL4727350 1.00 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725994 0.86 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725996 0.86 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL8215211 0.85 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL4727353 0.83 DPP4 (0.50) DPP4
SCHEMBL8215243 0.81 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL4919720 0.79 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL8213072 0.74 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL4728888 0.73 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL4728883 0.73 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP

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 1 patent. 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 disclosed