SCHEMBL3945602

SCHEMBL3945602

Cn1nccc1-c1cc(NC(=O)COc2ccccc2F)ccc1OCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.71
KCNH2 Q12809 3/20 0.71
HTR2C P28335 13/20 0.70

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
SCHEMBL3946893 0.94 HTR2A (0.78) HTR2AKCNH2HTR2C
SCHEMBL4037413 0.94 HTR2A (0.74) HTR2AHTR2C
SCHEMBL4042172 0.93 HTR2A (0.75) HTR2AHTR2C
SCHEMBL4120511 0.91 HTR2A (0.68) HTR2AKCNH2HTR2C
SCHEMBL3951704 0.91 HTR2A (0.69) HTR2AKCNH2HTR2C
SCHEMBL3948502 0.90 HTR2A (0.71) HTR2AKCNH2HTR2C
SCHEMBL3952296 0.90 HTR2A (0.69) HTR2AKCNH2HTR2C
SCHEMBL4035495 0.89 HTR2A (0.78) HTR2AKCNH2HTR2C
SCHEMBL4034556 0.89 HTR2A (0.70) HTR2AKCNH2HTR2C
SCHEMBL1165962 0.89 HTR2A (0.70) HTR2AKCNH2HTR2C

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