SCHEMBL8215211

SCHEMBL8215211

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
FAP Q12884 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
PREP P48147 2/20 0.45
ACE P12821 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL8212218 0.87 F2 (0.49) ACE
SCHEMBL8210445 0.85 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL4727350 0.85 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL4725996 0.84 DPP4 (0.64) DPP4FAPDPP8DPP9DPP7
SCHEMBL4725994 0.84 DPP4 (0.64) DPP4FAPDPP8DPP9DPP7
SCHEMBL4727239 0.81 ITGB3 (0.54) ACE
SCHEMBL4081470 0.81 ITGB3 (0.54) ACE
SCHEMBL8215243 0.81 DPP4 (0.53) DPP4FAPDPP8DPP9DPP7
SCHEMBL8213080 0.80 KLK5 (0.48)
SCHEMBL4086307 0.80 KLK5 (0.48)

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