SCHEMBL5376735

SCHEMBL5376735

O=C(O)CCc1cn(Cc2ccc(OCc3cccnc3)cc2)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.49
FFAR4 Q5NUL3 9/20 0.49
GPR132 Q9UNW8 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
P2RX3 P56373 1/20 0.47
AKR1B1 P15121 1/20 0.47
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL5385317 0.92 PTGER4 (0.43) FFAR1FFAR4GPR132PTGER4PTGER3
SCHEMBL5381548 0.90 FFAR1 (0.59) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5381983 0.89 FFAR1 (0.53) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5391903 0.87 FFAR1 (0.50) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5373666 0.87 FFAR1 (0.57) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5377468 0.84 TP53 (0.44) FFAR1FFAR4
SCHEMBL5397800 0.84 FFAR1 (0.51) FFAR1FFAR4PTGER4PTGER3P2RX3
SCHEMBL5381757 0.84 FFAR1 (0.53) FFAR1FFAR4PTGER4PTGER3
SCHEMBL5385631 0.83 FFAR1 (0.50) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5377294 0.82 PPARG (0.43) GPR132CYP11B1CYP11B2

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