SCHEMBL4795576

SCHEMBL4795576

Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)cc2ccoc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.65
HTR2C P28335 18/20 0.65
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4780050 0.90 HTR2A (0.63) HTR2AHTR2C
SCHEMBL14259726 0.85 HTR2A (0.62) HTR2AHTR2CGAA
SCHEMBL29573349 0.83 HTR2A (0.78) HTR2AHTR2CGAA
SCHEMBL5052914 0.83 HTR2A (0.78) HTR2AHTR2CGAA
SCHEMBL4727433 0.83 HTR2A (0.57) HTR2AHTR2C
SCHEMBL4728076 0.82 HTR2A (0.70) HTR2AHTR2C
SCHEMBL4726660 0.82 HTR2A (0.65) HTR2AHTR2C
SCHEMBL4781004 0.81 HTR2A (0.64) HTR2AHTR2C
SCHEMBL12391709 0.81 HTR2A (0.78) HTR2AHTR2CGAA
SCHEMBL4725894 0.81 HTR2A (0.59) HTR2AHTR2CGAA

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