SCHEMBL4035181

SCHEMBL4035181

COc1cccc(OCC(=O)Nc2ccc(OCCN3CCN(C(C)=O)CC3)c(-c3c(Cl)cnn3C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.68
HTR2C P28335 14/20 0.68
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
SCHEMBL4039931 0.93 HTR2A (0.66) HTR2AHTR2C
SCHEMBL3949991 0.93 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL4037245 0.90 HTR2A (0.69) HTR2AHTR2CKCNH2
SCHEMBL14385122 0.89 HTR2A (0.64) HTR2AHTR2CKCNH2
SCHEMBL4035818 0.86 HTR2A (0.61) HTR2AHTR2CKCNH2
SCHEMBL3952977 0.86 HTR2A (0.79) HTR2AHTR2CKCNH2
SCHEMBL4045085 0.84 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL4043358 0.83 HTR2A (0.72) HTR2AHTR2CKCNH2
SCHEMBL3954212 0.83 HTR2A (0.69) HTR2AHTR2CKCNH2
SCHEMBL3948351 0.82 HTR2A (0.73) 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 6 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
EP-1230243-B1 POYCYLOALKYLPURINES AS ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2009-03-04 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