SCHEMBL13638151

SCHEMBL13638151

O=CCC1CCCn2c1c(Sc1ccc3ccccc3c1)c1c(S)ccnc12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.51
PTGDR Q13258 19/20 0.51

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
SCHEMBL12808559 0.89 TBXA2R (0.62) TBXA2RPTGDR
SCHEMBL12676041 0.86 TBXA2R (0.59) TBXA2RPTGDR
SCHEMBL13638155 0.80 TBXA2R (0.60) TBXA2RPTGDR
SCHEMBL13638150 0.78 TBXA2R (0.62) TBXA2RPTGDR
SCHEMBL990560 0.75 TBXA2R (0.84) TBXA2RPTGDR
SCHEMBL13638154 0.74 PTGDR (0.64) TBXA2RPTGDR
SCHEMBL13176191 0.64 PTGDR (0.81) TBXA2RPTGDR
SCHEMBL13122992 0.63 PTGDR (0.80) TBXA2RPTGDR
SCHEMBL1042323 0.62 PTGDR (1.00) TBXA2RPTGDR
SCHEMBL2560148 0.53 KDM4E (0.34)

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-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed