SCHEMBL2470438

SCHEMBL2470438

NC(=O)O[C@H]1Cn2c(nc3cc([N+](=O)[O-])ccc32)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP7 Q9UHL4 14/20 0.51
DPP9 Q86TI2 5/20 0.51
KCNH2 Q12809 5/20 0.49
CYP2D6 P10635 4/20 0.49
DPP8 Q6V1X1 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
SCHEMBL3539137 0.82 DPP4 (0.53) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL3539134 0.82 DPP4 (0.53) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2472452 0.80 DPP4 (0.70) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL832073 0.71 MAPT (0.55) CYP2D6
SCHEMBL2470441 0.71 DPP4 (0.35) DPP4DPP7
SCHEMBL831664 0.71 MAPT (0.52) CYP2D6
SCHEMBL3532200 0.69 DPP4 (0.58) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL13342410 0.67 DPP4 (0.71) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL8259100 0.67 DPP4 (1.00) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL8259829 0.66 DPP4 (0.71) DPP4DPP7DPP9KCNH2CYP2D6

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
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed