SCHEMBL5377326

SCHEMBL5377326

CCOC(=O)CCc1cn(Cc2ccc(OCCN(C)c3ccccn3)cc2)nc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
PPARG P37231 7/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 2/20 0.42
RARG P13631 1/20 0.41
RXRA P19793 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5385639 0.92 FFAR1 (0.47) KMT2APPARGMAPTALDH1A1KDM4E
SCHEMBL5379034 0.89 PPARG (0.43) KMT2APPARGMAPTALDH1A1KDM4E
SCHEMBL5374629 0.81 PPARG (0.46) PPARGALDH1A1L3MBTL1LTA4HEGFR
SCHEMBL7543721 0.81 DGAT1 (0.36) LTA4HLMNATBXAS1CYSLTR1KLKB1
SCHEMBL5373814 0.80 CYP4F2 (0.50) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL5380858 0.79 PPARG (0.47) KMT2APPARGMAPTALDH1A1KDM4E
SCHEMBL5381156 0.78 CYP4F2 (0.44) KMT2AALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5385710 0.78 DGAT1 (0.36) PPARGMAPTALDH1A1HTTLMNA
SCHEMBL5387742 0.78 L3MBTL1 (0.46) PPARGALDH1A1L3MBTL1LTA4HEGFR
SCHEMBL5378860 0.77 MMP13 (0.42) MAPTALDH1A1L3MBTL1HTTCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed