SCHEMBL7007302

SCHEMBL7007302

CCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2C#N)n(Cc2ccccc2)c1=O.CCCn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2C#N)n(Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ADORA2B P29275 1/20 0.45

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 1.00 DPP4 (0.55) DPP4L3MBTL1ALDH1A1CYP3A4ADORA3
SCHEMBL5640697 0.97 DPP4 (0.58) DPP4L3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL7093975 0.95 DPP4 (0.55) DPP4L3MBTL1ALDH1A1
SCHEMBL14524035 0.92 DPP4 (0.55) DPP4L3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL5643390 0.90 DPP4 (0.64) DPP4L3MBTL1ALDH1A1
SCHEMBL5641006 0.90 DPP4 (0.67) DPP4L3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL5641163 0.90 DPP4 (0.67) DPP4L3MBTL1ALDH1A1
SCHEMBL5641369 0.88 DPP4 (0.58) DPP4L3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL5641325 0.87 DPP4 (0.62) DPP4L3MBTL1ALDH1A1
SCHEMBL5642076 0.86 DPP4 (0.72) DPP4L3MBTL1ALDH1A1ADORA3ADORA2A

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 disclosed
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 disclosed