SCHEMBL4792169

SCHEMBL4792169

COc1ncc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.77
HTR2C P28335 19/20 0.77
GAA P10253 1/20 0.53

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
SCHEMBL4766201 0.91 HTR2A (0.75) HTR2AHTR2C
SCHEMBL4660682 0.89 HTR2A (0.76) HTR2AHTR2C
SCHEMBL4661776 0.89 HTR2A (0.77) HTR2AHTR2C
SCHEMBL4660486 0.88 HTR2A (0.76) HTR2AHTR2C
Nelotanserin SCHEMBL2345325 0.87 HTR2A (1.00) HTR2AHTR2C
Nelotanserin SCHEMBL29456962 0.87 HTR2A (1.00) HTR2AHTR2C
Nelotanserin SCHEMBL29573017 0.87 HTR2A (1.00) HTR2AHTR2C
SCHEMBL4659293 0.87 HTR2A (0.66) HTR2AHTR2C
SCHEMBL29573349 0.83 HTR2A (0.78) HTR2AHTR2CGAA
SCHEMBL5052914 0.83 HTR2A (0.78) 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
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed