SCHEMBL5246780

SCHEMBL5246780

Cn1ncc(Br)c1-c1cc(Nc2ccc(F)cc2)ccc1OCCC1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.57
HTR2C P28335 18/20 0.57
PTK2 Q05397 1/20 0.40

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
SCHEMBL5244726 0.93 HTR2A (0.51) HTR2AHTR2C
SCHEMBL5244246 0.88 HTR2A (0.62) HTR2AHTR2C
SCHEMBL5244681 0.85 HTR2A (0.59) HTR2AHTR2C
SCHEMBL5243983 0.84 HTR2A (0.75) HTR2AHTR2C
SCHEMBL5243877 0.83 HTR2A (0.58) HTR2AHTR2C
SCHEMBL5244907 0.83 HTR2A (0.58) HTR2AHTR2C
SCHEMBL5243079 0.83 HTR2A (0.44) HTR2AHTR2C
SCHEMBL1868203 0.83 HTR2A (0.79) HTR2AHTR2C
SCHEMBL5243025 0.82 HTR2A (0.54) HTR2AHTR2C
SCHEMBL5242502 0.82 HTR2A (0.74) 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-1833799-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT-2a SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
WO-2006055734-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed