SCHEMBL4046566

SCHEMBL4046566

Cc1cnn(C)c1-c1cc(NC(=O)COc2ccc3c(c2)OCO3)ccc1OCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.56
HTR2C P28335 10/20 0.56
MAPT P10636 3/20 0.51
EPHX2 P34913 2/20 0.47
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 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 0.92 HTR2A (0.67) HTR2AHTR2CMAPTEPHX2LMNA
SCHEMBL3945383 0.87 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL4040392 0.87 HTR2A (0.64) HTR2AHTR2CKCNH2
SCHEMBL4036853 0.87 MAPT (0.58) HTR2AHTR2CMAPTKMT2ALMNA
SCHEMBL4035818 0.83 HTR2A (0.61) HTR2AHTR2CMAPTKCNH2KMT2A
SCHEMBL4040177 0.83 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL4042460 0.81 HTR2A (0.65) HTR2AHTR2C
SCHEMBL3947503 0.81 HTR2A (0.81) HTR2AHTR2CLMNA
SCHEMBL4043358 0.80 HTR2A (0.72) HTR2AHTR2CMAPTKCNH2
SCHEMBL3949290 0.80 HTR2A (0.67) HTR2AHTR2C

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 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
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