SCHEMBL8218895

SCHEMBL8218895

N[C@@H](CC(=O)N1CC(O)[C@H]1CNC(=O)C1CC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.69
DPP8 Q6V1X1 15/20 0.69
DPP9 Q86TI2 15/20 0.69
DPP7 Q9UHL4 15/20 0.69
CYP2D6 P10635 8/20 0.54
CYP3A4 P08684 1/20 0.51
KCNH2 Q12809 1/20 0.51
FAP Q12884 1/20 0.51

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
SCHEMBL8216396 0.91 DPP4 (0.71) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14220607 0.91 DPP4 (0.71) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8216566 0.91 DPP4 (0.71) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8221708 0.85 DPP4 (0.65) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14282823 0.83 DPP4 (0.74) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289115 0.82 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8220719 0.81 DPP4 (0.76) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14282813 0.79 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14282811 0.79 DPP4 (1.00) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8218969 0.79 DPP4 (0.81) DPP4DPP8DPP9DPP7CYP2D6

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-2008028662-A1 N-[1-(3-AMINO-4-PHENYL-BUTYRYL)-4-HYDROXY-PYRROLIDIN-2-YLMETHYL}-PROPIONAMIDE AND RELATED COMPOUNDS AS DPP-IV INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 WO disclosed