SCHEMBL5778568

SCHEMBL5778568

O=C(O)C[C@H]1CCn2c1c(Sc1ccc(C(F)(F)F)cc1)c1c(Br)cc(F)cc12

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.80
PTGDR Q13258 5/20 0.77
PDE2A O00408 3/20 0.77
PTGDR2 Q9Y5Y4 1/20 0.58

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
SCHEMBL5773893 0.89 TBXA2R (1.00) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5774002 0.87 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5797320 0.87 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5836698 0.84 TBXA2R (0.57) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5777761 0.83 TBXA2R (0.89) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5772444 0.81 TBXA2R (0.70) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5776058 0.79 TBXA2R (0.73) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5836483 0.79 TBXA2R (0.75) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5835872 0.78 TBXA2R (0.84) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5840675 0.78 TBXA2R (1.00) TBXA2RPTGDRPDE2APTGDR2

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