SCHEMBL12477152

SCHEMBL12477152

O=C(O)NC1Cc2c(nc3cnccn23)CC1c1cc(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.33
DPP7 Q9UHL4 7/20 0.33
DPP8 Q6V1X1 5/20 0.33
DPP9 Q86TI2 4/20 0.33
CYP2D6 P10635 3/20 0.32
RIPK2 O43353 1/20 0.31
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3532203 0.83 DPP4 (0.35) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL17137865 0.81 DPP4 (0.35) DPP4DPP7DPP8DPP9
SCHEMBL3539136 0.80 DPP4 (0.33) DPP4DPP7ALDH1A1
SCHEMBL17137872 0.80 DPP4 (0.33) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL12476768 0.80 DPP4 (0.45) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL17137867 0.79 DPP4 (0.31) DPP4DPP7DPP9CYP2D6KCNH2
SCHEMBL17137855 0.79 DPP4 (0.33) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL17137856 0.79 DPP4 (0.33) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL3533168 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL12476482 0.78 CYP2D6 (0.33) DPP4CYP2D6

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-2012089123-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2012-07-05 WO disclosed