SCHEMBL7004545

SCHEMBL7004545

COC(=O)c1ccc(C(C)n2c(N3CCNCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1.Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccc(C(C)(C)C)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2-c2ccccc2)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.44
SIRT5 Q9NXA8 1/20 0.44
GPR18 Q14330 1/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL7006609 0.94 DPP4 (0.50) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL7004547 0.90 DPP4 (0.59) DPP4L3MBTL1ALDH1A1GPR18TSHR
SCHEMBL7006612 0.85 DPP4 (0.65) DPP4L3MBTL1ALDH1A1GPR18TSHR
SCHEMBL5641836 0.78 MEN1 (0.52) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5641843 0.76 DPP4 (0.71) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5641868 0.75 DPP4 (0.75) DPP4L3MBTL1ALDH1A1TSHRNPSR1
SCHEMBL5642153 0.73 DPP4 (0.77) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5642757 0.71 DPP4 (0.69) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5644237 0.71 DPP4 (0.49) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5642868 0.70 DPP4 (0.88) DPP4L3MBTL1ALDH1A1TSHRNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 WO disclosed