SCHEMBL8801668

SCHEMBL8801668

O=C(O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.62
GPBAR1 Q8TDU6 3/20 0.62
PDE10A Q9Y233 2/20 0.61
CYSLTR2 Q9NS75 3/20 0.55
ALOX5AP P20292 1/20 0.54
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL9756934 0.95 CYSLTR1 (0.60) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL9757258 0.93 CYSLTR1 (0.60) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL8802122 0.87 PDE10A (0.57) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL8799782 0.86 PDE10A (0.59) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5AP
SCHEMBL9757134 0.86 CYSLTR1 (0.58) CYSLTR1GPBAR1PDE10AALOX5APFFAR1
SCHEMBL8802120 0.85 PDE10A (0.55) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5AP
SCHEMBL9756941 0.85 CYSLTR1 (0.54) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL9757208 0.84 CYSLTR1 (0.61) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5AP
SCHEMBL5564372 0.82 TBXAS1 (0.54)
SCHEMBL9757101 0.82 CYSLTR1 (0.46) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5AP

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