SCHEMBL5374467

SCHEMBL5374467

O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4ccncc4)n3)cc2)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.45
FFAR4 Q5NUL3 10/20 0.45
AKR1B1 P15121 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5378986 0.96 FFAR1 (0.47) FFAR1FFAR4AKR1B1MAPTRAB9A
SCHEMBL5377468 0.93 TP53 (0.44) FFAR1FFAR4MAPTPPARAALDH1A1
SCHEMBL5385312 0.91 FFAR1 (0.47) FFAR1FFAR4AKR1B1NPC1MAPT
SCHEMBL5380518 0.91 FFAR1 (0.47) FFAR1FFAR4AKR1B1
SCHEMBL5385880 0.90 ALDH1A1 (0.46) FFAR1FFAR4NPC1MAPTTSHR
SCHEMBL5387592 0.90 FFAR1 (0.41) FFAR1FFAR4AKR1B1
SCHEMBL5377477 0.89 PPARA (0.46) FFAR1FFAR4AKR1B1NPC1MAPT
SCHEMBL5377160 0.88 FFAR1 (0.46) FFAR1FFAR4AKR1B1L3MBTL1
SCHEMBL5379417 0.88 FFAR1 (0.44) FFAR1FFAR4AKR1B1MAPT
SCHEMBL5377258 0.86 ALDH1A1 (0.48) FFAR1FFAR4NPC1MAPTTSHR

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