SCHEMBL3947291

SCHEMBL3947291

COc1cccc(NCC(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.76
KCNH2 Q12809 3/20 0.76
HTR2C P28335 11/20 0.72

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
SCHEMBL4043024 0.90 HTR2A (0.71) HTR2AKCNH2HTR2C
SCHEMBL4045180 0.90 HTR2A (0.84) HTR2AKCNH2HTR2C
SCHEMBL3946796 0.89 HTR2A (0.79) HTR2AKCNH2HTR2C
SCHEMBL1165951 0.88 HTR2A (0.78) HTR2AKCNH2HTR2C
SCHEMBL3944615 0.88 HTR2A (0.79) HTR2AKCNH2HTR2C
SCHEMBL2041276 0.87 HTR2A (0.75) HTR2AKCNH2HTR2C
SCHEMBL3947258 0.87 HTR2A (0.77) HTR2AKCNH2HTR2C
Temanogrel SCHEMBL29436989 0.87 HTR2A (1.00) HTR2AKCNH2HTR2C
Temanogrel SCHEMBL1166554 0.87 HTR2A (1.00) HTR2AKCNH2HTR2C
SCHEMBL3950293 0.87 HTR2A (0.67) 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 5 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
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