SCHEMBL5244229

SCHEMBL5244229

Cn1nccc1-c1cc(NC(=O)c2ccccc2)ccc1OCCC1CCCCN1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.58
HTR2C P28335 9/20 0.58
KCNH2 Q12809 3/20 0.55

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
SCHEMBL5244080 0.91 HTR2A (0.69) HTR2AHTR2C
SCHEMBL5243597 0.91 HTR2A (0.72) HTR2AHTR2CKCNH2
SCHEMBL5244546 0.91 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL5243616 0.90 HTR2A (0.60) HTR2AHTR2CKCNH2
SCHEMBL5246093 0.90 HTR2A (0.60) HTR2AHTR2C
SCHEMBL5245350 0.90 HTR2A (0.74) HTR2AHTR2CKCNH2
SCHEMBL5245210 0.89 HTR2A (0.55) HTR2AHTR2C
SCHEMBL5244110 0.89 HTR2A (0.55) HTR2AHTR2CKCNH2
SCHEMBL5244738 0.89 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL5244594 0.89 HTR2A (0.68) HTR2AHTR2CKCNH2

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