SCHEMBL7009959

SCHEMBL7009959

CCCC(c1ccccc1C#N)n1c(N2CCCNCC2)nc2c1c(=O)[nH]c(=O)n2C.Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.53
ALDH1A1 P00352 7/20 0.50
TSHR P16473 5/20 0.50
HTT P42858 3/20 0.50
USP2 O75604 2/20 0.50
POLB P06746 2/20 0.48
SIRT5 Q9NXA8 1/20 0.48
HSD17B10 Q99714 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5643392 0.93 DPP4 (0.51) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL7093977 0.92 DPP4 (0.51) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL5641329 0.90 DPP4 (0.54) DPP4ALDH1A1TSHRHTTPOLB
SCHEMBL5642756 0.89 DPP4 (0.66) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL7007307 0.86 DPP4 (0.52) DPP4ALDH1A1TSHRHTTPOLB
SCHEMBL5640237 0.86 DPP4 (0.52) DPP4ALDH1A1TSHRHTTPOLB
SCHEMBL7009958 0.84 DPP4 (0.58) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL5640701 0.83 DPP4 (0.55) DPP4ALDH1A1TSHRHTTPOLB
SCHEMBL5640824 0.83 MEN1 (0.53) DPP4ALDH1A1TSHRHTTUSP2
SCHEMBL14524155 0.81 DPP4 (0.66) 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