SCHEMBL7003729

SCHEMBL7003729

CCOCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2I)n(Cc2ccccc2)c1=O.Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 5/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.42
FAP Q12884 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7003733 1.00 DPP4 (0.49) DPP4LMNAMAPTGAAHTT
SCHEMBL5640838 0.90 DPP4 (0.54) DPP4LMNAMAPK1ALDH1A1NPSR1
SCHEMBL5643124 0.87 DPP4 (0.56) DPP4LMNAMAPTHTTALDH1A1
SCHEMBL5638340 0.85 DPP4 (0.67) DPP4LMNAMAPTGAAHTT
SCHEMBL5638336 0.85 DPP4 (0.67) DPP4LMNAMAPTGAAHTT
SCHEMBL5642039 0.84 DPP4 (0.68) DPP4LMNAMAPTMAPK1ALDH1A1
SCHEMBL5641886 0.84 DPP4 (0.59) DPP4ALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL5641838 0.84 DPP4 (0.56) DPP4LMNAMAPTHTTMAPK1
SCHEMBL7010271 0.83 DPP4 (0.50) DPP4LMNAMAPTMAPK1ALDH1A1
SCHEMBL5641369 0.82 DPP4 (0.58) DPP4LMNAALDH1A1NPSR1TSHR

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