SCHEMBL7716680

SCHEMBL7716680

Cc1c(OCc2[c]cccc2)cccc1OCc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.48
CYSLTR2 Q9NS75 4/20 0.48
GPBAR1 Q8TDU6 7/20 0.45
PDE10A Q9Y233 2/20 0.42

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 0.83 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7717028 0.83 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7717224 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7452392 0.78 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9674385 0.78 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL2570374 0.74 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9636913 0.74 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL1004347 0.73 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL19025914 0.72 CYSLTR1 (0.44) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10694503 0.72 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1

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