SCHEMBL4660446

SCHEMBL4660446

COc1ncc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1c(Br)cnn1C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.62
HTR2C P28335 18/20 0.62
SMN1; SMN2 Q16637 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
SCHEMBL4660602 0.91 HTR2A (0.60) HTR2AHTR2C
SCHEMBL4838138 0.89 HTR2A (0.55) HTR2AHTR2CSMN1; SMN2
SCHEMBL4660554 0.88 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4659283 0.84 HTR2A (0.58) HTR2AHTR2C
SCHEMBL4724168 0.83 HTR2A (0.61) HTR2AHTR2CSMN1; SMN2
SCHEMBL4660702 0.81 HTR2A (0.52) HTR2AHTR2CSMN1; SMN2
SCHEMBL4659250 0.80 HTR2A (0.66) HTR2AHTR2C
SCHEMBL4660682 0.80 HTR2A (0.76) HTR2AHTR2C
SCHEMBL4659253 0.80 HTR2A (0.58) HTR2AHTR2CSMN1; SMN2
SCHEMBL884284 0.78 HTR2A (0.64) 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 3 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
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