SCHEMBL6201228

SCHEMBL6201228

Cn1ncc(Br)c1-c1cccc(Nc2ccc(C([NH])=O)c(F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.56
HTR2C P28335 15/20 0.44
AKT1 P31749 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6199759 0.88 HTR2A (0.57) HTR2AHTR2C
SCHEMBL6198383 0.88 HTR2A (0.61) HTR2AHTR2CAKT1
SCHEMBL6199862 0.85 HTR2A (0.53) HTR2AHTR2C
SCHEMBL6196071 0.84 HTR2A (0.62) HTR2AHTR2C
SCHEMBL5946738 0.84 HTR2A (0.58) HTR2AHTR2CAKT1
SCHEMBL6199293 0.84 HTR2A (0.52) HTR2AHTR2C
SCHEMBL5946663 0.82 HTR2A (0.54) HTR2AHTR2C
SCHEMBL5946773 0.81 HTR2A (0.57) HTR2AHTR2CAKT1
SCHEMBL5946706 0.80 HTR2A (0.56) HTR2AHTR2CAKT1
SCHEMBL5946676 0.80 HTR2A (0.53) HTR2AHTR2C

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-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed