SCHEMBL5243079

SCHEMBL5243079

Cn1ncc(Br)c1-c1cc(N)ccc1OCCC1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.44
HTR2C P28335 11/20 0.44
PRKCZ Q05513 1/20 0.39
SSTR2 P30874 3/20 0.36
MKNK1 Q9BUB5 3/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL4698783 0.97 HTR2A (0.43) HTR2AHTR2CPRKCZSSTR2
SCHEMBL5244165 0.96 HTR2A (0.44) HTR2AHTR2CPRKCZSSTR2
SCHEMBL5243165 0.86 HTR2A (0.47) HTR2AHTR2CSSTR2
SCHEMBL5246780 0.83 HTR2A (0.57) HTR2AHTR2C
SCHEMBL4126600 0.81 HTR2A (0.41) HTR2AHTR2CMKNK1
SCHEMBL5244726 0.81 HTR2A (0.51) HTR2AHTR2C
SCHEMBL1165844 0.81 HTR2A (0.63) HTR2AHTR2C
SCHEMBL1166100 0.80 HTR2A (0.62) HTR2AHTR2C
SCHEMBL1165825 0.80 HTR2A (0.62) HTR2AHTR2C
SCHEMBL1166558 0.80 HTR2A (0.46) 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