SCHEMBL4846979

SCHEMBL4846979

OCCCOCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.53
CYSLTR2 Q9NS75 6/20 0.53
GPBAR1 Q8TDU6 8/20 0.49
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL4846232 0.95 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9188531 0.94 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL4848779 0.94 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL4847244 0.90 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7510398 0.84 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL2353460 0.82 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL5935757 0.81 GPBAR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7509236 0.80 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL898777 0.78 PDE10A (0.47) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL4268808 0.76 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed