SCHEMBL5778904

SCHEMBL5778904

CC(=O)O[C@@H]1CCn2c1c(Sc1ccc(Cl)cc1)c1c(-c3cccn3C)cc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.45
PTGDR Q13258 4/20 0.42
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
SCHEMBL5773618 0.87 TBXA2R (0.71) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5776057 0.77 TBXA2R (0.81) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5776506 0.77 TBXA2R (0.51) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5776865 0.75 TBXA2R (0.59) TBXA2RPTGDR2PTGDR
SCHEMBL5777316 0.69 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5840675 0.69 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5800203 0.68 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5777289 0.68 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5777305 0.68 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5776580 0.68 TBXA2R (0.84) 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