SCHEMBL3948003

SCHEMBL3948003

Cn1nccc1-c1cc(NC(=O)COc2ccc(F)cc2)ccc1OCCC1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.58
HTR2C P28335 15/20 0.57
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3944611 0.98 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL3945593 0.93 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL3953845 0.93 HTR2A (0.57) HTR2AHTR2C
SCHEMBL3953304 0.92 HTR2A (0.58) HTR2AHTR2C
SCHEMBL3948984 0.92 HTR2A (0.55) HTR2AHTR2CKCNH2
SCHEMBL3951643 0.92 HTR2A (0.57) HTR2AHTR2CKCNH2
SCHEMBL3953627 0.92 HTR2A (0.49) HTR2AHTR2C
SCHEMBL4128814 0.92 HTR2A (0.59) HTR2AHTR2CKCNH2
SCHEMBL3954548 0.92 HTR2A (0.50) HTR2AHTR2C
SCHEMBL4208353 0.92 HTR2A (0.53) 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 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