SCHEMBL5380858

SCHEMBL5380858

CN(CCOc1ccc(Cn2cc(CCC(=O)O)c(-c3ccccc3)n2)cc1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GMNN O75496 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADRB3 P13945 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
NFKB1 P19838 1/20 0.47
TACR2 P21452 1/20 0.47
SLC6A2 P23975 1/20 0.47
TBXAS1 P24557 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL5379034 0.91 PPARG (0.43) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL5385639 0.87 FFAR1 (0.47) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL5381746 0.83 KMT2A (0.48) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL12396399 0.81 FFAR1 (0.64) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL5377099 0.79 FFAR1 (0.56) MAPTFFAR1FFAR4GAAHDAC1
SCHEMBL5377326 0.79 KMT2A (0.44) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL5380371 0.78 PPARG (0.60) PPARGPPARAFFAR1
SCHEMBL5387558 0.76 ALDH1A1 (0.51) MAPTTBXAS1FFAR1FFAR4GAA
SCHEMBL5393783 0.75 FFAR1 (0.66) CYSLTR1FFAR1
SCHEMBL5374845 0.75 HDAC1 (0.47) PPARGMAPTKMT2ACYSLTR1GAA

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