SCHEMBL4698783

SCHEMBL4698783

Cn1ncc(Br)c1-c1cc(N)ccc1OCCC1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.43
HTR2C P28335 9/20 0.43
SSTR2 P30874 9/20 0.39
PRKCZ Q05513 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
SCHEMBL5244165 0.99 HTR2A (0.44) HTR2AHTR2CSSTR2PRKCZ
SCHEMBL5243079 0.97 HTR2A (0.44) HTR2AHTR2CSSTR2PRKCZ
SCHEMBL5243165 0.84 HTR2A (0.47) HTR2AHTR2CSSTR2
SCHEMBL3952777 0.82 HTR2A (0.41) HTR2AHTR2CSSTR2
SCHEMBL5246780 0.81 HTR2A (0.57) HTR2AHTR2C
SCHEMBL5242075 0.80 HTR2A (0.53) HTR2AHTR2C
SCHEMBL5242697 0.80 HTR2A (0.72) HTR2AHTR2C
SCHEMBL5327071 0.80 HTR2A (0.62) HTR2AHTR2C
SCHEMBL1165844 0.80 HTR2A (0.63) HTR2AHTR2C
SCHEMBL5245092 0.80 HTR2A (0.61) 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-1978019-A1 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
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