SCHEMBL5777816

SCHEMBL5777816

CCC(OC)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.74
PTGER1 P34995 2/20 0.60
PTGDR2 Q9Y5Y4 2/20 0.60
PTGFR P43088 1/20 0.60
PTGER3 P43115 1/20 0.60
PTGER2 P43116 1/20 0.60

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 0.85 TBXA2R (1.00) TBXA2RPTGDR2
SCHEMBL5774875 0.82 TBXA2R (0.75) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5772139 0.80 TBXA2R (1.00) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5798298 0.77 TBXA2R (0.63) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5776610 0.77 TBXA2R (0.63) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5835466 0.76 TBXA2R (0.58) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL10312763 0.76 TBXA2R (0.74) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL4548362 0.75 TBXA2R (1.00) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5776580 0.75 TBXA2R (0.84) TBXA2RPTGDR2
SCHEMBL5835901 0.75 TBXA2R (0.69) TBXA2RPTGER1PTGDR2PTGFRPTGER3

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