SCHEMBL4727748

SCHEMBL4727748

c1cncc(-c2ncnc3cc(OCc4ccc5ccccc5n4)ccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.59
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
ALOX5AP P20292 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 2/20 0.46
LTB4R Q15722 4/20 0.45

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
SCHEMBL4728459 0.92 PDE10A (0.56) PDE10ACYSLTR2CYSLTR1GPBAR1CYP1A2
SCHEMBL4725624 0.89 PDE10A (0.60) PDE10ACYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL4783734 0.88 PDE10A (0.59) PDE10ACYSLTR2CYSLTR1CYP1A2
SCHEMBL4730192 0.83 PDE10A (0.55) PDE10ACYSLTR2CYSLTR1ALOX5APGPBAR1
SCHEMBL4728978 0.83 PDE10A (0.49) PDE10ACYP1A2
SCHEMBL4725516 0.83 PDE10A (0.49) PDE10ACYP1A2
SCHEMBL4781937 0.82 CYSLTR1 (0.54) PDE10ACYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL4727924 0.82 MAPT (0.49) CYP1A2
SCHEMBL4727502 0.82 PDE10A (0.43) PDE10ACYSLTR2CYSLTR1GPBAR1CYP1A2
SCHEMBL4725039 0.80 CYSLTR1 (0.57) PDE10ACYSLTR2CYSLTR1ALOX5APGPBAR1

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
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed