SCHEMBL5377161

SCHEMBL5377161

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)nc1OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.40
ALOX5 P09917 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
PDE10A Q9Y233 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARG P37231 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5385668 0.92 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53ALOX5
SCHEMBL5374476 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53ALOX5
SCHEMBL5374629 0.84 PPARG (0.46) LMNAPPARG
SCHEMBL5387742 0.81 L3MBTL1 (0.46) LMNAPPARG
SCHEMBL5385595 0.81 POLB (0.43) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL5373814 0.80 CYP4F2 (0.50) ALOX5LMNAKMT2A
SCHEMBL5381156 0.80 CYP4F2 (0.44) LMNAKMT2A
SCHEMBL5376691 0.79 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53ALOX5
SCHEMBL5378860 0.79 MMP13 (0.42) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL5392101 0.79 CYSLTR2 (0.41) PPARGCYSLTR2CYSLTR1

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