SCHEMBL4730192

SCHEMBL4730192

COc1ccc(-c2ncnc3cc(OCc4ccc5ccccc5n4)ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.55
CYSLTR1 Q9Y271 5/20 0.51
GPBAR1 Q8TDU6 4/20 0.51
CYSLTR2 Q9NS75 2/20 0.51
ALOX5AP P20292 1/20 0.47
LGALS3 P17931 1/20 0.47
PDE4D Q08499 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
SCHEMBL4725624 0.91 PDE10A (0.60) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL4781937 0.91 CYSLTR1 (0.54) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL4783734 0.88 PDE10A (0.59) PDE10ACYSLTR1CYSLTR2LGALS3PDE4D
SCHEMBL4727748 0.83 PDE10A (0.59) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL4725039 0.82 CYSLTR1 (0.57) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL4728679 0.82 KIT (0.56)
SCHEMBL13772898 0.81 CYSLTR1 (0.69) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL10547475 0.79 CYSLTR1 (0.76) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL4727863 0.79 PDE10A (0.57) PDE10ACYSLTR1CYSLTR2
SCHEMBL4728934 0.79 PDE10A (0.57) PDE10ACYSLTR1CYSLTR2

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