SCHEMBL7717119

SCHEMBL7717119

COc1cc(OCc2ccc3ccccc3n2)ccc1OCc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.49
GPBAR1 Q8TDU6 4/20 0.49
PDE10A Q9Y233 3/20 0.49
CYSLTR2 Q9NS75 2/20 0.48
ALOX5 P09917 1/20 0.47
ALOX5AP P20292 3/20 0.46
CYP1A2 P05177 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
SCHEMBL7717036 0.90 CYSLTR1 (0.55) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL10547704 0.83 PDE10A (0.64) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5AP
SCHEMBL7009377 0.76 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9844652 0.76 CYSLTR1 (0.69) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL7516606 0.76 CYSLTR1 (0.48) CYSLTR1CYSLTR2
SCHEMBL9818449 0.76 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL7457140 0.76 PDE10A (0.60) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL9022854 0.75 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7454262 0.75 PDE10A (0.57) CYSLTR1GPBAR1PDE10ACYSLTR2CYP1A2
SCHEMBL8636013 0.75 PDE10A (0.63) CYSLTR1GPBAR1PDE10ACYSLTR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed