SCHEMBL3976903

SCHEMBL3976903

COc1cccc(Nc2ccc(OCCNC(=O)OC(C)(C)C)c(-c3ccnn3C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.59
HTR2C P28335 13/20 0.59
KCNH2 Q12809 1/20 0.53

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
SCHEMBL2064979 0.89 HTR2A (0.75) HTR2AHTR2CKCNH2
SCHEMBL2064472 0.82 HTR2A (0.74) HTR2AHTR2CKCNH2
SCHEMBL2063696 0.80 HTR2A (0.46) HTR2AHTR2C
SCHEMBL884769 0.78 HTR2A (0.76) HTR2AHTR2CKCNH2
SCHEMBL884127 0.77 HTR2A (0.80) HTR2AHTR2CKCNH2
SCHEMBL883898 0.77 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL883900 0.77 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL2041276 0.77 HTR2A (0.75) HTR2AHTR2CKCNH2
SCHEMBL883989 0.76 HTR2A (0.80) HTR2AHTR2CKCNH2
SCHEMBL5055889 0.76 HTR2A (0.74) 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-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP disclosed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF 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