SCHEMBL7093975

SCHEMBL7093975

CCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2C#N)n(Cc2ccccc2)c1=O.N#Cc1ccccc1Cn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.55
POLB P06746 2/20 0.47
SIRT5 Q9NXA8 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 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
SCHEMBL5640234 0.95 DPP4 (0.55) DPP4ALDH1A1L3MBTL1
SCHEMBL7007302 0.95 DPP4 (0.55) DPP4ALDH1A1L3MBTL1
SCHEMBL5640697 0.92 DPP4 (0.58) DPP4ALDH1A1L3MBTL1
SCHEMBL5640951 0.90 DPP4 (0.62) DPP4POLBSIRT5NPSR1ALDH1A1
SCHEMBL7009958 0.89 DPP4 (0.58) DPP4POLBSIRT5NPSR1ALDH1A1
SCHEMBL7098995 0.89 DPP4 (0.58) DPP4POLBSIRT5NPSR1ALDH1A1
SCHEMBL14524035 0.87 DPP4 (0.55) DPP4NPSR1ALDH1A1L3MBTL1TSHR
SCHEMBL5642164 0.87 DPP4 (0.66) DPP4POLBSIRT5NPSR1ALDH1A1
SCHEMBL5643390 0.86 DPP4 (0.64) DPP4NPSR1ALDH1A1MEN1KMT2A
SCHEMBL5641006 0.85 DPP4 (0.67) DPP4NPSR1ALDH1A1MAPK1L3MBTL1

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