SCHEMBL8339602

SCHEMBL8339602

Cn1c(=O)c2c(nc(N3CCCC3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.81
NPSR1 Q6W5P4 6/20 0.81
TSHR P16473 5/20 0.81
DPP4 P27487 3/20 0.81
MAPK1 P28482 2/20 0.81
RECQL P46063 1/20 0.81
LMNA P02545 6/20 0.77
MAPT P10636 4/20 0.77
TDP1 Q9NUW8 1/20 0.72
USP2 O75604 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
HTT P42858 1/20 0.69
ALOX15 P16050 2/20 0.69
HSD17B10 Q99714 2/20 0.69
KDM4E B2RXH2 1/20 0.69
HPGD P15428 1/20 0.69
HIF1A Q16665 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL555986 0.90 DPP4 (0.92) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL5323627 0.90 DPP4 (1.00) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL4074251 0.88 DPP4 (0.94) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL13939505 0.87 NPSR1 (0.76) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL4669794 0.87 DPP4 (1.00) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL554515 0.87 DPP4 (1.00) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL13939659 0.87 ALDH1A1 (0.80) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL4667712 0.85 DPP4 (0.90) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL4667057 0.85 DPP4 (0.90) ALDH1A1NPSR1TSHRDPP4MAPK1
SCHEMBL12604413 0.85 DPP4 (0.81) ALDH1A1NPSR1TSHRDPP4MAPK1

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
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 WO disclosed