SCHEMBL7098995

SCHEMBL7098995

CCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2I)n(Cc2ccccc2)c1=O.O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(N3CCNCC3)n(Cc3ccccc3I)c12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.58
POLB P06746 2/20 0.49
SIRT5 Q9NXA8 1/20 0.49
ALDH1A1 P00352 7/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.47
ADORA3 P0DMS8 4/20 0.46
HTT P42858 3/20 0.46
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5641369 0.95 DPP4 (0.58) DPP4ALDH1A1NPSR1L3MBTL1TSHR
SCHEMBL5642537 0.91 DPP4 (0.61) DPP4ALDH1A1L3MBTL1ADORA3
SCHEMBL5642768 0.90 DPP4 (0.65) DPP4POLBSIRT5ALDH1A1NPSR1
SCHEMBL7093975 0.89 DPP4 (0.55) DPP4POLBSIRT5ALDH1A1NPSR1
SCHEMBL6253455 0.89 DPP4 (0.62) DPP4POLBSIRT5ALDH1A1NPSR1
SCHEMBL5641006 0.87 DPP4 (0.67) DPP4ALDH1A1NPSR1MAPK1L3MBTL1
SCHEMBL5643231 0.86 DPP4 (0.70) DPP4POLBSIRT5ALDH1A1NPSR1
SCHEMBL5640838 0.86 DPP4 (0.54) DPP4ALDH1A1NPSR1MAPK1L3MBTL1
SCHEMBL5643317 0.85 DPP4 (0.54) DPP4ALDH1A1NPSR1MAPK1L3MBTL1
SCHEMBL5640762 0.85 DPP4 (0.60) DPP4ALDH1A1NPSR1MEN1KMT2A

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 claimed
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 claimed