SCHEMBL7717028

SCHEMBL7717028

Cc1cc(OCc2[c]cccc2)ccc1OCc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.56
CYSLTR2 Q9NS75 3/20 0.56
PDE10A Q9Y233 4/20 0.52
GPBAR1 Q8TDU6 7/20 0.51
ALOX5AP P20292 2/20 0.48
CYP1A2 P05177 2/20 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
SCHEMBL7714623 1.00 CYSLTR1 (0.56) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL7717224 0.84 CYSLTR1 (0.53) CYSLTR1CYSLTR2PDE10AGPBAR1CYP1A2
SCHEMBL7716680 0.83 CYSLTR1 (0.48) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL7717036 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL10846145 0.78 PDE10A (0.68) CYSLTR1CYSLTR2PDE10AGPBAR1CYP1A2
SCHEMBL7459197 0.76 CYSLTR1 (0.54) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL14021613 0.76 CYSLTR1 (0.63) CYSLTR1CYSLTR2PDE10AGPBAR1CYP1A2
SCHEMBL9719806 0.75 PDE10A (0.63) CYSLTR1CYSLTR2PDE10AGPBAR1CYP1A2
SCHEMBL7716689 0.75 PDE10A (0.63) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL7455455 0.75 CYSLTR1 (0.67) CYSLTR1GPBAR1

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