SCHEMBL5377167

SCHEMBL5377167

CCOC(=O)CCc1cn(Cc2ccc(OC(C)c3nc4ccccc4[nH]3)cc2)nc1OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.39
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL5385675 0.92 FFAR1 (0.40) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5374478 0.88 MAPT (0.44) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5376698 0.79 GAA (0.45) KDM4EALDH1A1LMNAMAPTCYP1A2
SCHEMBL5373814 0.78 CYP4F2 (0.50) ALDH1A1LMNAKMT2ACYP4F2CYP4A11
SCHEMBL7543726 0.78 CYP4F2 (0.34) ALDH1A1LMNACYP4F2CYP4A11
SCHEMBL5374629 0.77 PPARG (0.46) ALDH1A1LMNACYP4F2CYP4A11
SCHEMBL5381156 0.76 CYP4F2 (0.44) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5385595 0.76 POLB (0.43) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5377161 0.75 RAB9A (0.48) LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5387742 0.74 L3MBTL1 (0.46) ALDH1A1LMNACYP4F2CYP4A11

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