SCHEMBL4044522

SCHEMBL4044522

Cn1nccc1-c1cc(NC(=O)COc2cccc(F)c2)ccc1OCCN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.78
HTR2C P28335 12/20 0.78
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
SCHEMBL4034680 0.94 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL4043408 0.93 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL3946796 0.91 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL3955875 0.91 HTR2A (0.69) HTR2AHTR2CKCNH2
SCHEMBL4035495 0.91 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL4034556 0.91 HTR2A (0.70) HTR2AHTR2CKCNH2
SCHEMBL3948265 0.91 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL3942637 0.91 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL3945386 0.90 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL3946893 0.89 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 4 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
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