SCHEMBL7007307

SCHEMBL7007307

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.52
POLB P06746 2/20 0.44
SIRT5 Q9NXA8 1/20 0.44
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 7/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL5640237 1.00 DPP4 (0.52) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL5640701 0.97 DPP4 (0.55) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL7093977 0.95 DPP4 (0.51) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL5643392 0.89 DPP4 (0.51) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL7009959 0.86 DPP4 (0.53) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL5641329 0.86 DPP4 (0.54) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL5640951 0.81 DPP4 (0.62) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL5639564 0.79 DPP4 (0.77) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL7093975 0.78 DPP4 (0.55) DPP4POLBSIRT5KMT2ANPSR1
SCHEMBL5642164 0.78 DPP4 (0.66) DPP4POLBSIRT5KMT2ANPSR1

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