SCHEMBL1965185

SCHEMBL1965185

COc1ccc2[nH]nc(C(=O)NC3CN4CCC3CC4)c2c1-c1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.52
HTR3A P46098 6/20 0.52
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
HTR5A P47898 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1965181 1.00 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1963771 0.85 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964249 0.85 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1963512 0.83 CHRNA7 (0.55) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1965726 0.83 HTR3A (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964961 0.83 HTR3A (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1962888 0.83 HTR3A (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1965416 0.82 HTR3A (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1963950 0.81 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492356 0.81 CHRNA7 (0.67) 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