SCHEMBL6588959

SCHEMBL6588959

O=C(OCc1ccc(C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.66
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
ENPP2 Q13822 1/20 0.47
TGM2 P21980 1/20 0.46
RAB9A P51151 2/20 0.46
MAOB P27338 3/20 0.46
MMP1 P03956 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5827968 0.89 HTR2A (0.80) HTR2AGAAALDH1A1RAB9AMAOB
SCHEMBL9846609 0.87 HTR2A (0.70) HTR2AGAAALDH1A1MAPTRAB9A
SCHEMBL6648196 0.85 HTR2A (0.70) HTR2AGAAALDH1A1MAPTRAB9A
SCHEMBL14621621 0.85 HTR2A (0.74) HTR2AGAAALDH1A1RAB9AMAOB
SCHEMBL22832591 0.83 HTR2A (0.67) HTR2AGAAALDH1A1RAB9AMAOB
SCHEMBL25187205 0.83 HTR2A (0.70) HTR2AGAAALDH1A1MAPTRAB9A
SCHEMBL1972455 0.83 HTR2A (0.67) HTR2AGAAALDH1A1MAPTRAB9A
SCHEMBL4112112 0.83 HTR2A (0.74) HTR2AGAAALDH1A1MAPTRAB9A
SCHEMBL20480867 0.83 HTR2A (0.70) HTR2AGAAALDH1A1MAPTRAB9A
SCHEMBL12524469 0.83 HTR2A (0.74) HTR2AGAAALDH1A1MAPTRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP disclosed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
US-5453434-A Ocular hypotensive agents, treatment of glaucoma ALLERGAN, INC. (US) 1995-09-26 US disclosed