SCHEMBL7093977

SCHEMBL7093977

CCCC(c1ccccc1C#N)n1c(N2CCCNCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1.N#Cc1ccccc1Cn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.51
POLB P06746 2/20 0.43
SIRT5 Q9NXA8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
USP2 O75604 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
SCHEMBL7007307 0.95 DPP4 (0.52) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL5640237 0.95 DPP4 (0.52) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL5640701 0.92 DPP4 (0.55) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL7009959 0.92 DPP4 (0.53) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL5640951 0.88 DPP4 (0.62) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL5642164 0.85 DPP4 (0.66) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL5643392 0.85 DPP4 (0.51) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL7093975 0.84 DPP4 (0.55) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL5641329 0.81 DPP4 (0.54) DPP4POLBSIRT5NPSR1TSHR
SCHEMBL14524535 0.81 DPP4 (0.62) DPP4POLBSIRT5NPSR1TSHR

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