SCHEMBL6690980

SCHEMBL6690980

CS(=O)(=O)c1cc(F)cn2c3c(c(Sc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.54
PTGDR Q13258 14/20 0.52
PDE2A O00408 6/20 0.52
PTGER1 P34995 2/20 0.47
PDE4A P27815 1/20 0.47
TSPO P30536 1/20 0.47
DRD3 P35462 1/20 0.47
PTGFR P43088 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
PTGIR P43119 1/20 0.47
PDE4D Q08499 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL5777765 0.86 TBXA2R (0.52) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5777666 0.79 TBXA2R (0.49) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5776287 0.73 TBXA2R (0.46) TBXA2RPTGDRPTGDR2
SCHEMBL6690976 0.72 TBXA2R (0.90) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5774776 0.72 PDE2A (0.46) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5800203 0.70 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5777289 0.70 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL991121 0.68 PTGDR (1.00) TBXA2RPTGDRPDE2APTGER1PDE4A
SCHEMBL4548354 0.68 PTGDR (1.00) TBXA2RPTGDRPDE2APTGER1PDE4A
SCHEMBL6737910 0.68 TBXA2R (0.72) TBXA2RPTGDRPDE2APTGER1PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO disclosed