SCHEMBL8799759

SCHEMBL8799759

O=[N+]([O-])c1ccc(OCc2ccc3ccccc3n2)cc1CO

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.57
GPBAR1 Q8TDU6 7/20 0.57
PDE10A Q9Y233 1/20 0.54
CYSLTR2 Q9NS75 4/20 0.51
ALOX5 P09917 1/20 0.48
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL16044521 0.84 PDE10A (0.56) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL8800062 0.82 PDE10A (0.54) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL810302 0.81 PDE10A (0.56) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL16046772 0.81 PDE10A (0.56) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL2566156 0.81 PDE10A (0.57) PDE10A
SCHEMBL2567854 0.78 LMNA (0.69) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL14191577 0.78 BACE1 (0.53) ALOX5
SCHEMBL29901207 0.78 BACE1 (0.53) ALOX5
SCHEMBL8802103 0.77 CYSLTR1 (0.64) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL5779125 0.77 CYSLTR1 (0.62) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5

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
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed