SCHEMBL4034940

SCHEMBL4034940

Cn1ncc(Cl)c1-c1cc(NC(=O)CNc2ccc(F)cc2)ccc1OCCN1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.76
HTR2C P28335 15/20 0.76
KCNH2 Q12809 1/20 0.54

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
SCHEMBL4037569 0.94 HTR2A (0.82) HTR2AHTR2C
SCHEMBL4538316 0.92 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL3948534 0.89 HTR2A (0.70) HTR2AHTR2CKCNH2
SCHEMBL1166585 0.89 HTR2A (0.74) HTR2AHTR2CKCNH2
SCHEMBL1865338 0.89 HTR2A (0.84) HTR2AHTR2CKCNH2
SCHEMBL3950293 0.89 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL3948057 0.88 HTR2A (0.80) HTR2AHTR2C
SCHEMBL4043306 0.88 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL3953966 0.87 HTR2A (0.74) HTR2AHTR2C
SCHEMBL1165597 0.86 HTR2A (1.00) 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-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed