SCHEMBL7002114

SCHEMBL7002114

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1.Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.92
POLB P06746 3/20 0.76
SIRT5 Q9NXA8 1/20 0.76
TSHR P16473 5/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
NPSR1 Q6W5P4 3/20 0.73
ALDH1A1 P00352 10/20 0.70
HTT P42858 3/20 0.70
MAPK1 P28482 6/20 0.68
GLA P06280 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 3/20 0.62
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
XBP1 P17861 1/20 0.59

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
SCHEMBL5642288 1.00 DPP4 (0.92) DPP4POLBSIRT5TSHRMEN1
SCHEMBL555020 0.96 DPP4 (1.00) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5641788 0.92 DPP4 (0.78) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5639564 0.92 DPP4 (0.77) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5638147 0.88 ALDH1A1 (0.73) DPP4POLBSIRT5TSHRMEN1
SCHEMBL7562242 0.88 DPP4 (0.84) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5640606 0.87 DPP4 (0.83) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5642757 0.87 DPP4 (0.69) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5075029 0.86 POLB (0.84) DPP4POLBSIRT5TSHRMEN1
SCHEMBL5643517 0.86 L3MBTL1 (0.75) DPP4POLBSIRT5TSHRMEN1

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