SCHEMBL4043358

SCHEMBL4043358

COc1ccc(OCC(=O)Nc2ccc(OCCN3CCOCC3)c(-c3c(Cl)cnn3C)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.72
HTR2C P28335 15/20 0.72
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KCNH2 Q12809 1/20 0.54
TP53 P04637 1/20 0.53
HSD17B10 Q99714 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
SCHEMBL3947503 0.94 HTR2A (0.81) HTR2AHTR2C
SCHEMBL4037245 0.93 HTR2A (0.69) HTR2AHTR2CKCNH2
SCHEMBL3948351 0.93 HTR2A (0.73) HTR2AHTR2CKCNH2HSD17B10
SCHEMBL3954910 0.92 HTR2A (0.69) HTR2AHTR2C
SCHEMBL4538316 0.92 HTR2A (0.71) HTR2AHTR2CKCNH2
SCHEMBL1166010 0.91 HTR2A (0.86) HTR2AHTR2C
SCHEMBL3945712 0.91 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL1166097 0.90 HTR2A (0.69) HTR2AHTR2CMAPTKCNH2
SCHEMBL4039931 0.90 HTR2A (0.66) HTR2AHTR2CMAPT
SCHEMBL1166067 0.90 HTR2A (0.75) 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 3 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
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