SCHEMBL5380939

SCHEMBL5380939

Cc1oc(-c2ccccc2)nc1CNC(=O)c1ccc(Cn2cc(CCC(=O)O)c(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
MAPT P10636 6/20 0.48
FFAR1 O14842 1/20 0.47
THRB P10828 1/20 0.46
PPARG P37231 3/20 0.46
PPARA Q07869 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
TP53 P04637 2/20 0.45
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 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
SCHEMBL27518478 0.94 HDAC1 (0.51) POLBMAPTFFAR1THRBHDAC1
SCHEMBL5385917 0.91 MAPT (0.47) POLBMAPTTHRBHDAC1HDAC7
SCHEMBL5380371 0.83 PPARG (0.60) FFAR1PPARGPPARA
SCHEMBL5387534 0.83 FFAR1 (0.70) FFAR1PPARGPPARA
SCHEMBL5376961 0.80 FFAR1 (0.65) MAPTFFAR1PPARGPPARA
SCHEMBL5376697 0.80 FFAR1 (0.65) FFAR1PPARGPPARA
SCHEMBL5382403 0.79 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL5380307 0.79 FFAR1 (0.64) FFAR1PPARGPPARA
SCHEMBL5380618 0.79 KLKB1 (0.51) PPARGPPARAHDAC1HDAC7KLKB1
SCHEMBL5384782 0.79 FFAR1 (0.61) FFAR1PPARGPPARA

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 7 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
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN 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
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN 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