SCHEMBL5836341

SCHEMBL5836341

O=C(O)C(F)(F)C1CCn2c1c([S+]([O-])c1ccc(Cl)cc1)c1c(Br)cc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.48
PTGER1 P34995 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL5777801 0.80 TBXA2R (0.71) TBXA2RPTGDR2
SCHEMBL5774875 0.66 TBXA2R (0.75) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL6727090 0.66 TBXA2R (0.75) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL6735830 0.66 TBXA2R (0.75) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5773893 0.65 TBXA2R (1.00) TBXA2RPTGDR2
SCHEMBL5779006 0.64 TBXA2R (0.67) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5837002 0.64 TBXA2R (0.71) TBXA2RPTGDR2
SCHEMBL5777761 0.62 TBXA2R (0.89) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5778581 0.61 TBXA2R (0.61) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5774333 0.61 TBXA2R (0.67) TBXA2RPTGDR2

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
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US claimed