SCHEMBL3949182

SCHEMBL3949182

COc1ccc(NC(=O)CNc2ccc(F)cc2F)cc1-c1ccnn1C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.57
HTR2C P28335 13/20 0.57
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2350347 0.87 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL3954204 0.86 HTR2A (0.55) HTR2AHTR2CKCNH2
SCHEMBL3953599 0.84 HTR2A (0.75) HTR2AHTR2CKCNH2
SCHEMBL4037316 0.81 HTR2A (0.57) HTR2AHTR2CKCNH2
SCHEMBL4036923 0.78 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL5061706 0.77 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL30343208 0.77 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL3945624 0.77 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL134069 0.76 HTR2A (0.73) HTR2AHTR2C
SCHEMBL3952896 0.76 HTR2A (0.56) 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