SCHEMBL7717036

SCHEMBL7717036

Cc1cc(OCc2ccc3ccccc3n2)ccc1OCc1c[c]ccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.55
CYSLTR2 Q9NS75 3/20 0.55
GPBAR1 Q8TDU6 4/20 0.51
PDE10A Q9Y233 3/20 0.51
ALOX5 P09917 1/20 0.48
ALOX5AP P20292 3/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL7717119 0.90 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL7714623 0.82 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL7717028 0.82 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL7458688 0.81 CYSLTR1 (0.67) CYSLTR1GPBAR1ALOX5
SCHEMBL7455455 0.81 CYSLTR1 (0.67) CYSLTR1GPBAR1ALOX5
SCHEMBL10846145 0.78 PDE10A (0.68) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL9844652 0.78 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL14021613 0.77 CYSLTR1 (0.63) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL8636013 0.77 PDE10A (0.63) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL7716747 0.76 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5

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