SCHEMBL8215243

SCHEMBL8215243

COC(=O)[C@H](Cc1ccc(Oc2ccc(Nc3ccccn3)cc2)cc1)NCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.53
DPP9 Q86TI2 2/20 0.45
FAP Q12884 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
PREP P48147 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44

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
SCHEMBL4725994 0.82 DPP4 (0.64) DPP4DPP9FAPDPP8DPP7
SCHEMBL4725996 0.82 DPP4 (0.64) DPP4DPP9FAPDPP8DPP7
SCHEMBL8210445 0.81 DPP4 (0.47) DPP4DPP9FAPDPP8DPP7
SCHEMBL4727350 0.81 DPP4 (0.47) DPP4DPP9FAPDPP8DPP7
SCHEMBL8215211 0.81 DPP4 (0.46) DPP4DPP9FAPDPP8DPP7
SCHEMBL4782420 0.76 DPP4 (0.57) DPP4DPP9FAPDPP7PREP
SCHEMBL4919720 0.76 DPP4 (0.59) DPP4DPP9FAPDPP8DPP7
SCHEMBL4727353 0.75 DPP4 (0.50) DPP4
SCHEMBL8211698 0.72 DPP4 (0.46) DPP4DPP9FAPDPP8DPP7
SCHEMBL13902100 0.72

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