SCHEMBL5777733

SCHEMBL5777733

Clc1ccc(Sc2c3n(c4cc(I)cc(Br)c24)CC[CH]3)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 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
SCHEMBL5773536 0.86 TBXA2R (0.56) TBXA2RPTGDR2HTR1ADRD2DRD4
SCHEMBL5777736 0.78 TBXA2R (0.41) TBXA2RPTGDR2
SCHEMBL5776535 0.76 TBXA2R (0.39) TBXA2RPTGDR2
SCHEMBL5777618 0.72 TBXA2R (0.79) TBXA2RPTGDR2
SCHEMBL5835634 0.71 TBXA2R (0.56) TBXA2RPTGDR2
SCHEMBL5778173 0.70 TBXA2R (0.50) TBXA2RPTGDR2
SCHEMBL5777302 0.67 TBXA2R (0.33) TBXA2RPTGDR2HTR1A
SCHEMBL5778034 0.65 TBXA2R (0.43) TBXA2RHTR1ADRD2
SCHEMBL5773541 0.64 TBXA2R (0.55) TBXA2RPTGDR2
SCHEMBL5779000 0.62 TBXA2R (0.55) TBXA2RPTGDR2

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