SCHEMBL6196811

SCHEMBL6196811

Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(F)cc2C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.64
HTR2C P28335 15/20 0.56
NTRK1 P04629 1/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6199304 0.90 HTR2A (0.54) HTR2AHTR2CNTRK1TP53GAA
SCHEMBL6197718 0.86 HTR2A (0.69) HTR2AHTR2CGAA
SCHEMBL6199397 0.85 HTR2A (0.71) HTR2AHTR2C
SCHEMBL6200025 0.85 HTR2A (0.69) HTR2AHTR2C
SCHEMBL6201549 0.85 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6200743 0.83 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6198546 0.83 HTR2A (0.73) HTR2AHTR2C
SCHEMBL6196466 0.82 HTR2A (0.69) HTR2AHTR2C
SCHEMBL6198536 0.82 HTR2A (0.66) HTR2AHTR2CNTRK1
SCHEMBL22825410 0.82 HTR2A (0.82) 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