SCHEMBL5372162

SCHEMBL5372162

O=C(O)CCc1cn(Cc2ccc(OCc3cccnc3)cc2)nc1OCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
FFAR4 Q5NUL3 3/20 0.46
P2RX3 P56373 1/20 0.46
TBXAS1 P24557 3/20 0.45
GPR132 Q9UNW8 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ACACB O00763 1/20 0.43
MMP13 P45452 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 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
SCHEMBL5377419 0.94 P2RX3 (0.44) FFAR1FFAR4P2RX3TBXAS1GPR132
SCHEMBL5385502 0.88 MMP13 (0.43) P2RX3CYP19A1CYP11B1CYP11B2ACACB
SCHEMBL5387558 0.87 ALDH1A1 (0.51) FFAR1FFAR4P2RX3TBXAS1GPR132
SCHEMBL5378860 0.85 MMP13 (0.42) CYP19A1CYP11B1CYP11B2ACACBMMP13
SCHEMBL5373798 0.84 FFAR1 (0.54) FFAR1FFAR4HDAC1AKR1B1
SCHEMBL5385816 0.80 LMNA (0.46) FFAR1FFAR4L3MBTL1MEN1KMT2A
SCHEMBL5372527 0.80 FFAR1 (0.47) FFAR1FFAR4AKR1B1
SCHEMBL5385574 0.79 FFAR1 (0.45) FFAR1FFAR4AKR1B1
SCHEMBL5376735 0.78 FFAR1 (0.49) FFAR1FFAR4P2RX3TBXAS1GPR132
SCHEMBL5387742 0.78 L3MBTL1 (0.46) FFAR1FFAR4HDAC1ALDH1A1L3MBTL1

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