SCHEMBL8290106

SCHEMBL8290106

C=C(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1S(C)(=O)=O)Cc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.73
DPP8 Q6V1X1 5/20 0.73
DPP9 Q86TI2 5/20 0.73
DPP7 Q9UHL4 5/20 0.73
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
DRD2 P14416 1/20 0.36

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
SCHEMBL4954738 0.91 DPP4 (0.74) DPP4DPP8DPP9DPP7HRH1
SCHEMBL8290287 0.91 DPP4 (0.74) DPP4DPP8DPP9DPP7HRH1
SCHEMBL4952157 0.85 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL8289172 0.85 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL14307840 0.71 DPP4 (0.58) DPP4DPP8DPP9DPP7
SCHEMBL23752465 0.71 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL8289096 0.71 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL8290101 0.70 FFAR2 (0.51)
SCHEMBL8288179 0.70 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL8289103 0.70 DPP4 (1.00) DPP4DPP8DPP9DPP7

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-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed