SCHEMBL8736552

SCHEMBL8736552

[CH2]c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.64
CYSLTR1 Q9Y271 9/20 0.61
CYSLTR2 Q9NS75 2/20 0.61
GPBAR1 Q8TDU6 6/20 0.59
CYP1A2 P05177 1/20 0.53

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
SCHEMBL10512475 0.90 PDE10A (0.77) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL8098339 0.87 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL6744402 0.86 CYSLTR1 (0.69) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL8732702 0.84 PDE10A (0.66) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8734106 0.84 PDE10A (0.66) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8179931 0.83 PDE10A (0.64) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8736559 0.83 PDE10A (0.64) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL8735648 0.81 CYSLTR1 (0.78) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL7801642 0.80 GPBAR1 (0.81) CYSLTR1GPBAR1
SCHEMBL10512001 0.80 PDE10A (0.68) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed