SCHEMBL7011952

SCHEMBL7011952

Cn1c(=O)c2c(nc(N3CCCNC(CO)C3)n2Cc2ccccc2)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCNCC(O)C3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.66
ALDH1A1 P00352 9/20 0.59
TSHR P16473 5/20 0.59
LMNA P02545 5/20 0.59
MAPT P10636 4/20 0.59
NPSR1 Q6W5P4 5/20 0.54
MAPK1 P28482 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 3/20 0.47
HIF1A Q16665 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5639551 0.93 DPP4 (0.68) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5640069 0.90 DPP4 (0.78) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5641434 0.89 DPP4 (0.73) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5643484 0.89 DPP4 (0.73) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL464943 0.84 DPP4 (0.77) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL555986 0.83 DPP4 (0.92) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5640138 0.81 DPP4 (0.71) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5640222 0.81 DPP4 (0.71) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5640131 0.81 DPP4 (0.71) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5323627 0.81 DPP4 (1.00) DPP4ALDH1A1TSHRLMNAMAPT

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