SCHEMBL7004547

SCHEMBL7004547

COC(=O)c1ccc(Cn2c(N3CCNCC3)nc3c2c(=O)n(C)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 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RECQL P46063 1/20 0.47
GPR18 Q14330 1/20 0.47
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43
FAP Q12884 1/20 0.43

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
SCHEMBL7006612 0.95 DPP4 (0.65) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL7004545 0.90 DPP4 (0.48) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5641843 0.85 DPP4 (0.71) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5641868 0.83 DPP4 (0.75) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5642153 0.82 DPP4 (0.77) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL7006609 0.81 DPP4 (0.50) DPP4L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL5642868 0.78 DPP4 (0.88) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5644241 0.77 DPP4 (0.69) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5323627 0.76 DPP4 (1.00) DPP4L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5641080 0.76 DPP4 (0.58) DPP4L3MBTL1ALDH1A1MAPTMAPK1

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