SCHEMBL4040994

SCHEMBL4040994

COc1ccc(NC(=O)CNC2CCN(Cc3ccccc3)CC2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.55
HTR2C P28335 10/20 0.55
HTT P42858 1/20 0.50
ACHE P22303 2/20 0.49
SIGMAR1 Q99720 4/20 0.49
TSHR P16473 1/20 0.46
MCHR1 Q99705 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 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
SCHEMBL4038785 0.89 HTR2A (0.56) HTR2AHTR2C
SCHEMBL3948198 0.88 HTR2A (0.54) HTR2AHTR2CACHESIGMAR1
SCHEMBL4039676 0.85 HTR2A (0.60) HTR2AHTR2C
SCHEMBL3946791 0.84 HTR2A (0.63) HTR2AHTR2C
SCHEMBL3947457 0.80 HTR2A (0.60) HTR2AHTR2CACHE
SCHEMBL3949440 0.79 HTR2A (0.72) HTR2AHTR2CACHETSHR
SCHEMBL3946597 0.79 HTR2A (0.64) HTR2AHTR2C
SCHEMBL3945404 0.78 HTR2A (0.58) HTR2AHTR2CHTTTSHRCYP1A2
SCHEMBL5061771 0.78 HTR2A (0.70) HTR2AHTR2C
SCHEMBL29573278 0.78 HTR2A (0.70) 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