SCHEMBL5385668

SCHEMBL5385668

CCOc1nn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)cc1CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
HDAC6 Q9UBN7 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
TP53 P04637 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
MAPT P10636 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL5377161 0.92 RAB9A (0.48) RAB9ANPC1HDAC6SMN1; SMN2ALOX5
SCHEMBL5376691 0.87 NPC1 (0.51) RAB9ANPC1HDAC6SMN1; SMN2ALOX5
SCHEMBL5373798 0.85 FFAR1 (0.54) ALOX5FFAR1FFAR4
SCHEMBL5381140 0.83 FFAR1 (0.63) ALOX5FFAR1
SCHEMBL5374476 0.82 RAB9A (0.47) RAB9ANPC1HDAC6SMN1; SMN2ALOX5
SCHEMBL5388055 0.80 PLA2G4A (0.43) RAB9ASMN1; SMN2FFAR1FFAR4MAPT
SCHEMBL5382761 0.79 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL5385574 0.78 FFAR1 (0.45) FFAR1FFAR4MAPT
Sipoglitazar SCHEMBL5380746 0.78 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2PPARGTP53
SCHEMBL5377419 0.78 P2RX3 (0.44) RAB9ANPC1SMN1; SMN2TP53FFAR1

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