SCHEMBL5318285

SCHEMBL5318285

CC(C)COC(=O)N1CCC(CNC(=O)c2cc(Cl)c(N)c3c2OCCC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.49
HTR3A P46098 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2C P18825 1/20 0.45
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5315558 0.90 HTR4 (0.41) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5318283 0.87 KDM4E (0.49) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5318149 0.80 HTR4 (0.41) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17978305 0.80 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL505450 0.80 HTR4 (0.58) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17978155 0.80 HTR4 (0.49) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17978242 0.79 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5317371 0.79 KCNH2 (0.43) HTR4HTR3AKCNH2
SCHEMBL17978193 0.79 HTR4 (0.49) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2329533 0.79 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 WO disclosed