SCHEMBL8802103

SCHEMBL8802103

OCc1ccc(OCc2ccc3ccccc3n2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.64
GPBAR1 Q8TDU6 8/20 0.63
PDE10A Q9Y233 2/20 0.60
CYSLTR2 Q9NS75 4/20 0.57
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50

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
SCHEMBL10686237 0.85 PDE10A (0.68) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL10512475 0.80 PDE10A (0.77) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL8799860 0.80 PDE10A (0.60) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL3422397 0.79 PDE10A (0.59) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9637028 0.78 CYSLTR1 (0.65) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL3076102 0.78 CYSLTR1 (1.00) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL8735648 0.78 CYSLTR1 (0.78) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL8800153 0.78 CYSLTR1 (0.55) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL10690965 0.78 CYSLTR1 (0.76) CYSLTR1GPBAR1PDE10ACYSLTR2FFAR1
SCHEMBL4848317 0.77 CYSLTR1 (1.00) CYSLTR1GPBAR1PDE10ACYSLTR2

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