SCHEMBL3944637

SCHEMBL3944637

COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1-c1ccnn1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HTR2A P28223 3/20 0.54
HTR2C P28335 2/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ANO1 Q5XXA6 1/20 0.49
USP2 O75604 1/20 0.49
HDAC1 Q13547 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
EDNRA P25101 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL885428 0.89 HTR2A (0.57) MAPTALDH1A1LMNAHTR2AHTR2C
SCHEMBL2065699 0.81 HTR2A (0.55) MAPTALDH1A1LMNAHTR2AHTR2C
SCHEMBL884088 0.77 HTR2A (0.65) HTR2AHTR2C
SCHEMBL23175276 0.75 SMN1; SMN2 (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29623470 0.75 SMN1; SMN2 (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15742768 0.75 ROCK2 (0.70) MAPTHDAC1
SCHEMBL134069 0.75 HTR2A (0.73) HTR2AHTR2C
SCHEMBL28373785 0.74 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL14385123 0.73 HTR2A (0.56) HTR2AHTR2C
SCHEMBL28885924 0.73 KMT2A (0.68) MAPTALDH1A1LMNAKMT2AMEN1

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 4 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-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