SCHEMBL5776946

SCHEMBL5776946

Fc1cc(Br)c2c(Sc3ccc(Br)cc3)c3n(c2c1)CC[C]3

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.45
PDE2A O00408 3/20 0.31
PTGDR Q13258 3/20 0.31

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
SCHEMBL5773541 0.91 TBXA2R (0.55) TBXA2RPDE2APTGDR
SCHEMBL5778175 0.75 TBXA2R (0.49) TBXA2RPDE2APTGDR
SCHEMBL5835835 0.69 TBXA2R (0.60) TBXA2RPDE2APTGDR
SCHEMBL5773893 0.62 TBXA2R (1.00) TBXA2RPDE2APTGDR
SCHEMBL15207756 0.59 MAOA (0.47)
SCHEMBL22567681 0.57 MAOA (0.43)
SCHEMBL7937917 0.57 MAOA (0.52)
SCHEMBL15208638 0.55 MAOA (0.41)
SCHEMBL3411276 0.54 MAOA (0.64)
SCHEMBL4123832 0.54 MAOA (0.64)

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