SCHEMBL1968673

SCHEMBL1968673

CC(C)(C)NC(=S)[AsH]c1ccc2c(C(=O)N[C@@H]3CN4CCC3CC4)nsc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.43
HTR3A P46098 3/20 0.43
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL1963330 0.85 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492008 0.78 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1965965 0.78 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12044680 0.78 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL262045 0.77 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1962858 0.77 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL260476 0.77 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1963419 0.77 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL260227 0.77 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964980 0.77 CHRNA7 (0.50) CHRNA7HTR3AHTR3EHTR3BHTR3D

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
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed