SCHEMBL14401191

SCHEMBL14401191

O=C(O)CC1CCCn2c1c(Sc1ccc(Br)cc1)c1c([SH](=O)=O)ccnc12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.73
PTGDR Q13258 20/20 0.73

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
SCHEMBL3872881 0.84 PTGDR (1.00) TBXA2RPTGDR
SCHEMBL12923781 0.81 TBXA2R (0.80) TBXA2RPTGDR
SCHEMBL990588 0.77 TBXA2R (1.00) TBXA2RPTGDR
SCHEMBL1042323 0.76 PTGDR (1.00) TBXA2RPTGDR
SCHEMBL14449868 0.76 PTGDR (1.00) TBXA2RPTGDR
SCHEMBL990454 0.76 TBXA2R (1.00) TBXA2RPTGDR
SCHEMBL991127 0.76 TBXA2R (1.00) TBXA2RPTGDR
SCHEMBL14401271 0.76 PTGDR (0.85) TBXA2RPTGDR
SCHEMBL13122992 0.75 PTGDR (0.80) TBXA2RPTGDR
SCHEMBL12808559 0.74 TBXA2R (0.62) 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
WO-2007120575-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-10-25 WO disclosed