SCHEMBL5778152

SCHEMBL5778152

COc1cc(Br)c2c(Sc3ccc(Cl)cc3)c3n(c2c1)CCC3CC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.77
PTGDR Q13258 6/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.60

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
SCHEMBL5776492 0.89 TBXA2R (0.79) TBXA2RPTGDR
SCHEMBL5777618 0.87 TBXA2R (0.79) TBXA2RPTGDRPTGDR2
SCHEMBL5773893 0.87 TBXA2R (1.00) TBXA2RPTGDRPTGDR2
SCHEMBL6738757 0.86 TBXA2R (0.78) TBXA2RPTGDRPTGDR2
SCHEMBL5834981 0.85 TBXA2R (0.56) TBXA2RPTGDRPTGDR2
SCHEMBL5778629 0.85 TBXA2R (0.76) TBXA2RPTGDRPTGDR2
SCHEMBL5774522 0.84 TBXA2R (0.75) TBXA2RPTGDRPTGDR2
SCHEMBL5774620 0.84 TBXA2R (0.75) TBXA2RPTGDRPTGDR2
SCHEMBL5774988 0.82 TBXA2R (0.67) TBXA2RPTGDRPTGDR2
SCHEMBL5777761 0.81 TBXA2R (0.89) TBXA2RPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed