SCHEMBL5776057

SCHEMBL5776057

CCC(OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1OC(C)=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.81
PTGDR2 Q9Y5Y4 1/20 0.47
PTGDR Q13258 4/20 0.44
PDE2A O00408 2/20 0.42

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
SCHEMBL5776055 0.89 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5836349 0.88 TBXA2R (0.78) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5776580 0.79 TBXA2R (0.84) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL6734713 0.79 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5774971 0.78 TBXA2R (0.86) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5778904 0.77 TBXA2R (0.53) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5835972 0.77 TBXA2R (0.79) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5777316 0.77 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5777305 0.76 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5775353 0.75 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A

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