SCHEMBL5773541

SCHEMBL5773541

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.55
PTGDR2 Q9Y5Y4 5/20 0.38
AKR1B1 P15121 3/20 0.35
PDE2A O00408 2/20 0.30
PTGDR Q13258 2/20 0.30

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
SCHEMBL5776946 0.91 TBXA2R (0.45) TBXA2RPDE2APTGDR
SCHEMBL5777736 0.86 TBXA2R (0.41) TBXA2RPTGDR2AKR1B1
SCHEMBL5778175 0.82 TBXA2R (0.49) TBXA2RPTGDR2AKR1B1PDE2APTGDR
SCHEMBL5776538 0.81 TBXA2R (0.39) TBXA2RPTGDR2AKR1B1
SCHEMBL5773536 0.78 TBXA2R (0.56) TBXA2RPTGDR2AKR1B1PDE2APTGDR
SCHEMBL5779000 0.75 TBXA2R (0.55) TBXA2RPTGDR2AKR1B1PDE2APTGDR
SCHEMBL5777307 0.73 TBXA2R (0.32) TBXA2RPTGDR2AKR1B1
SCHEMBL5773893 0.71 TBXA2R (1.00) TBXA2RPTGDR2PDE2APTGDR
SCHEMBL5774333 0.70 TBXA2R (0.67) TBXA2RPTGDR2PDE2APTGDR
SCHEMBL5777801 0.70 TBXA2R (0.71) TBXA2RPTGDR2PDE2APTGDR

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