SCHEMBL5372207

SCHEMBL5372207

O=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ FAAH O00519 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP19A1 P11511 4/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL5376994 0.94 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL6593156 0.85 GAA (0.58) SMN1; SMN2PTGDR2ALDH1A1PTGS1PTGS2
SCHEMBL6593163 0.85 GAA (0.58) SMN1; SMN2PTGDR2ALDH1A1PTGS1PTGS2
SCHEMBL4851654 0.84 FFAR1 (0.53) SMN1; SMN2NPC1RAB9A
SCHEMBL5377170 0.82 FFAR1 (0.54) MAPT
SCHEMBL5376873 0.81 PTGDR2 (0.46) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL5372015 0.81 KMT2A (0.65) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL3084028 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL4851874 0.80 FFAR1 (0.41) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL5376871 0.80 PTGDR2 (0.47) SMN1; SMN2NPC1RAB9ALMNAPTGDR2

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
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