SCHEMBL3949453

SCHEMBL3949453

Cn1nccc1-c1cc(NC(=O)COc2ccc(F)cc2F)ccc1OCCC1CCCCN1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.57
HTR2C P28335 13/20 0.55
KCNH2 Q12809 2/20 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
SCHEMBL3948531 0.94 HTR2A (0.55) HTR2AHTR2CKCNH2
SCHEMBL3944611 0.92 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL3946395 0.92 HTR2A (0.55) HTR2AHTR2CKCNH2
SCHEMBL4211179 0.90 HTR2A (0.56) HTR2AHTR2CKCNH2
SCHEMBL3948003 0.90 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL5242209 0.89 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL5244501 0.88 HTR2A (0.72) HTR2AHTR2CKCNH2
SCHEMBL1165907 0.88 HTR2A (0.70) HTR2AHTR2C
SCHEMBL3951643 0.88 HTR2A (0.57) HTR2AHTR2CKCNH2
SCHEMBL4210629 0.87 HTR2A (0.52) 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