SCHEMBL13765233

SCHEMBL13765233

OC1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2CCc2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
LTB4R Q15722 4/20 0.35
ALOX5AP P20292 6/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
ALOX5 P09917 1/20 0.32
CYP2D6 P10635 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL4058527 0.93 PDE10A (0.41) PDE10ALTB4RALOX5APCYSLTR1CYSLTR2
SCHEMBL14159707 0.90 PDE10A (0.39) PDE10ALTB4RALOX5APCYSLTR1CYSLTR2
SCHEMBL4052528 0.85 LTB4R (0.43) PDE10ALTB4RALOX5APCYSLTR1CYSLTR2
SCHEMBL4052136 0.83 CYSLTR2 (0.36) PDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL14159715 0.83 ALOX5AP (0.34) PDE10AALOX5APCYSLTR1CYSLTR2ALOX5
SCHEMBL4059510 0.80 CYSLTR2 (0.33) PDE10AALOX5APCYSLTR1CYSLTR2ALOX5
SCHEMBL4059512 0.80 CYSLTR2 (0.33) PDE10AALOX5APCYSLTR1CYSLTR2ALOX5
SCHEMBL13765232 0.80 PDE10A (0.39) PDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL4060756 0.80 PDE10A (0.41) PDE10ALTB4RALOX5APCYSLTR1CYSLTR2
SCHEMBL7801372 0.79 LTB4R (0.43) PDE10ALTB4RALOX5APCYSLTR1CYSLTR2

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
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed