SCHEMBL4040177

SCHEMBL4040177

Cc1cnn(C)c1-c1cc(NC(=O)COc2ccc(F)cc2F)ccc1OCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.66
HTR2C P28335 14/20 0.66
KCNH2 Q12809 1/20 0.59
MET P08581 1/20 0.52

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
SCHEMBL4043306 0.92 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL3946893 0.87 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL3954224 0.85 HTR2A (0.72) HTR2AHTR2CKCNH2
SCHEMBL3945383 0.85 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL4046566 0.83 HTR2A (0.56) HTR2AHTR2CKCNH2
SCHEMBL4045085 0.82 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL1166175 0.81 HTR2A (0.87) HTR2AHTR2CKCNH2
SCHEMBL3946438 0.81 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL3945602 0.80 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL1165822 0.80 HTR2A (0.76) 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-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