SCHEMBL4060756

SCHEMBL4060756

OC1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2C=Cc2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
LTB4R Q15722 4/20 0.34
CYSLTR1 Q9Y271 4/20 0.34
ALOX5AP P20292 3/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYP3A4 P08684 1/20 0.32
GPBAR1 Q8TDU6 2/20 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
SCHEMBL5333781 0.90 PDE10A (0.40) PDE10ALTB4RCYSLTR1ALOX5APCYSLTR2
SCHEMBL4056757 0.83 CYSLTR2 (0.37) PDE10ACYSLTR1ALOX5APCYSLTR2
SCHEMBL13765233 0.80 PDE10A (0.39) PDE10ALTB4RCYSLTR1ALOX5APCYSLTR2
SCHEMBL4052528 0.79 LTB4R (0.43) PDE10ALTB4RCYSLTR1ALOX5APCYSLTR2
SCHEMBL4053392 0.76 CYSLTR1 (0.39) PDE10ACYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL7801372 0.76 LTB4R (0.43) PDE10ALTB4RCYSLTR1ALOX5APCYSLTR2
SCHEMBL5335837 0.75 CYSLTR1 (0.39) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL6571774 0.73 ALOX5AP (0.35) CYSLTR1ALOX5APCYSLTR2GPBAR1
SCHEMBL14159707 0.73 PDE10A (0.39) PDE10ALTB4RCYSLTR1ALOX5APCYSLTR2
SCHEMBL4056376 0.72 PDE10A (0.46) PDE10ACYSLTR1ALOX5APCYSLTR2CYP3A4

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 4 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
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed