SCHEMBL4045180

SCHEMBL4045180

Cn1nccc1-c1cc(NC(=O)CNc2cccc(F)c2)ccc1OCCN1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.84
HTR2C P28335 11/20 0.84
KCNH2 Q12809 4/20 0.69

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
SCHEMBL3948218 0.93 HTR2A (0.74) HTR2AHTR2CKCNH2
SCHEMBL3944615 0.92 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL1165319 0.91 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL4043024 0.91 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL3947258 0.91 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL3947291 0.90 HTR2A (0.76) HTR2AHTR2CKCNH2
SCHEMBL3953599 0.88 HTR2A (0.75) HTR2AHTR2CKCNH2
SCHEMBL4036923 0.88 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL1166115 0.88 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL4044522 0.88 HTR2A (0.78) 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 3 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 claimed
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 claimed
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