SCHEMBL2472453

SCHEMBL2472453

CS(=O)(=O)Nc1ccn2c3c(nc2c1)C[C@H](c1cc(F)c(F)cc1F)[C@H](OC(N)=O)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.42
KCNH2 Q12809 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP9 Q86TI2 1/20 0.42
ADAMTS5 Q9UNA0 4/20 0.32
MMP14 P50281 2/20 0.32
ADAM17 P78536 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MMP1 P03956 1/20 0.31
ADAMTS4 O75173 2/20 0.31
MMP3 P08254 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2471779 0.86 DPP4 (0.33) DPP4KCNH2DPP7DPP9CYP2D6
SCHEMBL3535589 0.85 DPP4 (0.47) DPP4KCNH2DPP7DPP9CYP2D6
SCHEMBL3533168 0.83 DPP4 (0.43) DPP4KCNH2DPP7DPP9ADAMTS5
SCHEMBL2472452 0.73 DPP4 (0.70) DPP4KCNH2DPP7DPP9CYP2D6
SCHEMBL3532203 0.69 DPP4 (0.35) DPP4KCNH2DPP7DPP9CYP2D6
SCHEMBL15739900 0.68 PADI4 (0.36) DPP4DPP7DPP9
SCHEMBL12477297 0.68 DPP4 (0.46) DPP4KCNH2DPP7DPP9
SCHEMBL15739881 0.68 DPP4 (0.46) DPP4KCNH2DPP7DPP9
SCHEMBL2469615 0.68 DPP4 (0.38) DPP4KCNH2DPP7DPP9CYP2D6
SCHEMBL17137856 0.67 DPP4 (0.33) DPP4KCNH2DPP7DPP9ADAMTS5

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