SCHEMBL7006609

SCHEMBL7006609

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 8/20 0.49
POLB P06746 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 5/20 0.41
HTT P42858 3/20 0.41
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7004545 0.94 DPP4 (0.48) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL7006612 0.86 DPP4 (0.65) DPP4L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5641836 0.83 MEN1 (0.52) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL7004547 0.81 DPP4 (0.59) DPP4L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5641868 0.80 DPP4 (0.75) DPP4L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5642757 0.76 DPP4 (0.69) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5644237 0.76 DPP4 (0.49) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5641843 0.75 DPP4 (0.71) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5075058 0.75 DPP4 (0.66) DPP4L3MBTL1ALDH1A1POLBSIRT5
SCHEMBL5641080 0.73 DPP4 (0.58) DPP4L3MBTL1ALDH1A1MEN1KMT2A

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