SCHEMBL7009958

SCHEMBL7009958

CCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2C#N)n(C)c1=O.Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1C#N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.58
ALDH1A1 P00352 6/20 0.53
TSHR P16473 4/20 0.53
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
HPGD P15428 1/20 0.49
HSD17B10 Q99714 2/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL5643390 0.94 DPP4 (0.64) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL5642756 0.91 DPP4 (0.66) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL5641325 0.91 DPP4 (0.62) DPP4ALDH1A1L3MBTL1KMT2A
SCHEMBL7093975 0.89 DPP4 (0.55) DPP4ALDH1A1TSHRHTTL3MBTL1
SCHEMBL14524051 0.86 DPP4 (0.60) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL555889 0.86 DPP4 (0.71) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL5641163 0.85 DPP4 (0.67) DPP4ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL7007302 0.85 DPP4 (0.55) DPP4ALDH1A1L3MBTL1
SCHEMBL5640234 0.85 DPP4 (0.55) DPP4ALDH1A1L3MBTL1
SCHEMBL7009959 0.84 DPP4 (0.53) DPP4ALDH1A1TSHRHTTUSP2

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