SCHEMBL5779155

SCHEMBL5779155

CC(=O)OC1CCn2c1c(Br)c1c(S(C)(=O)=O)cc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.47
PDE2A O00408 3/20 0.46
PTGDR Q13258 3/20 0.46
PTGER1 P34995 2/20 0.43
PTGFR P43088 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL5779018 0.80 TBXA2R (0.67) TBXA2RPDE2APTGDRPTGER1PTGFR
SCHEMBL1255632 0.66 PDE2A (0.49) TBXA2RPDE2APTGDRPTGER1PTGFR
SCHEMBL5775019 0.65 TBXA2R (0.85) TBXA2RPDE2APTGDR
SCHEMBL5800203 0.64 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL5777289 0.64 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL1255223 0.64 PDE2A (0.54) TBXA2RPDE2APTGDRPTGER1PTGFR
SCHEMBL5772139 0.64 TBXA2R (1.00) TBXA2RPDE2APTGDRPTGER1PTGFR
SCHEMBL5774002 0.63 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL5840634 0.63 TBXA2R (0.78) TBXA2RPDE2APTGDRPTGER1PTGFR
SCHEMBL5775922 0.63 TBXA2R (1.00) TBXA2RPDE2APTGDRPTGER1PTGFR

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