SCHEMBL5835634

SCHEMBL5835634

CC(C(=O)O)C1CCn2c1c(Sc1ccc(Cl)cc1)c1c(Br)cc(I)cc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.56
PTGDR Q13258 6/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.42
PTGER1 P34995 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGFR P43088 1/20 0.40

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
SCHEMBL5837002 0.89 TBXA2R (0.71) TBXA2RPTGDRPTGDR2
SCHEMBL5834981 0.89 TBXA2R (0.56) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL5777618 0.83 TBXA2R (0.79) TBXA2RPTGDRPTGDR2
SCHEMBL5835835 0.81 TBXA2R (0.60) TBXA2RPTGDRPTGDR2
SCHEMBL5836996 0.79 TBXA2R (0.58) TBXA2RPTGDR
SCHEMBL5835524 0.79 TBXA2R (0.57) TBXA2RPTGDR
SCHEMBL5836698 0.78 TBXA2R (0.57) TBXA2RPTGDRPTGDR2
SCHEMBL5776305 0.78 TBXA2R (0.57) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL5835854 0.77 TBXA2R (0.56) TBXA2RPTGDR
SCHEMBL5835832 0.75 TBXA2R (0.56) TBXA2RPTGDR

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