SCHEMBL4035818

SCHEMBL4035818

CC(=O)N1CCN(CCOc2ccc(NC(=O)COc3ccc4c(c3)OCO4)cc2-c2c(Cl)cnn2C)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.61
HTR2C P28335 13/20 0.61
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL4037589 0.91 HTR2A (0.67) HTR2AHTR2CMAPT
SCHEMBL14385122 0.88 HTR2A (0.64) HTR2AHTR2CKCNH2
SCHEMBL4039931 0.88 HTR2A (0.66) HTR2AHTR2CMAPT
SCHEMBL4565514 0.87 HTR2A (0.65) HTR2AHTR2CKCNH2
SCHEMBL3949991 0.86 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL4035181 0.86 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL4046566 0.83 HTR2A (0.56) HTR2AHTR2CMAPTKMT2AKCNH2
SCHEMBL4045085 0.83 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL3947503 0.81 HTR2A (0.81) HTR2AHTR2C
SCHEMBL4043358 0.80 HTR2A (0.72) HTR2AHTR2CMAPTKCNH2

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
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-2070093-A1 FUNCTIONAL GRAPHENE-RUBBER NANOCOMPOSITES The Trustees of Princeton University (US) 2009-06-17 EP disclosed
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-2008045778-A1 FUNCTIONAL GRAPHENE-RUBBER NANOCOMPOSITES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2008-04-17 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