SCHEMBL4725894

SCHEMBL4725894

CCOC(=O)c1cc2cc(NC(=O)Nc3ccc(F)cc3F)cc(-c3c(Br)cnn3C)c2o1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.59
HTR2C P28335 18/20 0.59
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.41

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
SCHEMBL4727771 0.91 HTR2A (0.57) HTR2AHTR2C
SCHEMBL14259726 0.89 HTR2A (0.62) HTR2AHTR2CGAA
SCHEMBL4780191 0.85 HTR2A (0.62) HTR2AHTR2C
SCHEMBL4725737 0.84 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4727184 0.84 HTR2A (0.60) HTR2AHTR2C
SCHEMBL4795576 0.81 HTR2A (0.65) HTR2AHTR2CGAA
SCHEMBL4780226 0.79 HTR2A (0.60) HTR2AHTR2C
SCHEMBL4780197 0.79 HTR2A (0.42) HTR2AHTR2C
SCHEMBL12391709 0.77 HTR2A (0.78) HTR2AHTR2CGAA
SCHEMBL4881352 0.76 HTR2A (0.39) HTR2AHTR2CTSHR

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-2008027483-A1 BENZOFURAN DERIVATIVES AS MODULATORS OF THE 5-HT2A RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed