SCHEMBL5837015

SCHEMBL5837015

CC(C)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1I)c1n2CC[C@@H]1C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.48
PTGER1 P34995 2/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL5776610 0.86 TBXA2R (0.63) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5835901 0.74 TBXA2R (0.69) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5778581 0.74 TBXA2R (0.61) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5837002 0.68 TBXA2R (0.71) TBXA2RPTGDR2
SCHEMBL5836349 0.67 TBXA2R (0.78) TBXA2RPTGDR2
SCHEMBL5835920 0.66 TBXA2R (0.39) TBXA2RPTGDR2
SCHEMBL5836332 0.66 TBXA2R (0.39) TBXA2RPTGDR2
SCHEMBL5834967 0.65 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5777316 0.65 TBXA2R (1.00) TBXA2RPTGDR2
SCHEMBL5777816 0.64 TBXA2R (0.74) TBXA2RPTGER1PTGFRPTGER3PTGER2

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
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed