SCHEMBL7010271

SCHEMBL7010271

CCOCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2)n(C)c1=O.Cn1c(=O)n(CC2CCCO2)c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.50
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPK1 P28482 2/20 0.44
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL5640660 0.90 DPP4 (0.53) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5639355 0.88 DPP4 (0.53) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5643124 0.88 DPP4 (0.56) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5641580 0.88 DPP4 (0.56) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5642037 0.87 DPP4 (0.65) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5640838 0.86 DPP4 (0.54) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5640954 0.86 DPP4 (0.55) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5641886 0.85 DPP4 (0.59) DPP4ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL5642039 0.85 DPP4 (0.68) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL5641838 0.84 DPP4 (0.56) DPP4ALDH1A1LMNATSHRNPSR1

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