SCHEMBL5836050

SCHEMBL5836050

CC(C(=O)O)C1CCn2c1c(Sc1ncccn1)c1c(Br)cc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.49
PTGDR Q13258 6/20 0.39
PDE2A O00408 3/20 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
SCHEMBL5835835 0.85 TBXA2R (0.60) TBXA2RPTGDRPDE2A
SCHEMBL5837002 0.83 TBXA2R (0.71) TBXA2RPTGDRPDE2A
SCHEMBL5772444 0.82 TBXA2R (0.70) TBXA2RPTGDRPDE2A
SCHEMBL5836698 0.81 TBXA2R (0.57) TBXA2RPTGDRPDE2A
SCHEMBL5834967 0.72 TBXA2R (0.38) TBXA2R
SCHEMBL5835634 0.72 TBXA2R (0.56) TBXA2RPTGDR
SCHEMBL5835468 0.69 TBXA2R (0.35) TBXA2R
SCHEMBL5836349 0.68 TBXA2R (0.78) TBXA2RPTGDRPDE2A
SCHEMBL5773893 0.65 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5776058 0.65 TBXA2R (0.73) TBXA2RPTGDRPDE2A

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