SCHEMBL5381944

SCHEMBL5381944

CCOC(=O)CCc1cn(Cc2ccc(OCc3cn4c(Cl)cccc4n3)cc2)nc1OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
TP53 P04637 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL5379383 0.93 MAPT (0.40) MAPTKDM4ESMN1; SMN2RXFP1RAB9A
SCHEMBL5387609 0.92 KDM4E (0.40) MAPTKDM4ESMN1; SMN2RXFP1RAB9A
SCHEMBL5387466 0.89 MAPT (0.44) MAPTKDM4ESMN1; SMN2RXFP1RAB9A
SCHEMBL5379340 0.88 MAPT (0.34) MAPTKDM4ESMN1; SMN2RXFP1RAB9A
SCHEMBL5381841 0.84 KDM4E (0.41) MAPTKDM4ESMN1; SMN2RXFP1RAB9A
SCHEMBL5374629 0.82 PPARG (0.46) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL5371988 0.82 KDM4E (0.44) MAPTKDM4ERAB9AGAALMNA
SCHEMBL5392101 0.81 CYSLTR2 (0.41) ALDH1A1CYSLTR2CYSLTR1PPARGPPARD
SCHEMBL5393683 0.80 PDE4B (0.35) MAPTKDM4ESMN1; SMN2RXFP1RAB9A
SCHEMBL5381156 0.79 CYP4F2 (0.44) KDM4EGAAALDH1A1LMNACYP4F2

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 3 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