SCHEMBL1968544

SCHEMBL1968544

O=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(NC(=S)NCC3CC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
HTR3A P46098 1/20 0.61
GSK3B P49841 18/20 0.46
DYRK1A Q13627 2/20 0.44

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
SCHEMBL12059994 1.00 CHRNA7 (0.61) CHRNA7HTR3AGSK3BDYRK1A
SCHEMBL1968539 1.00 CHRNA7 (0.61) CHRNA7HTR3AGSK3BDYRK1A
SCHEMBL1965171 0.87 CHRNA7 (0.67) CHRNA7HTR3AGSK3BDYRK1A
SCHEMBL15199683 0.85 CHRNA7 (0.62) CHRNA7HTR3AGSK3BDYRK1A
SCHEMBL2790338 0.84 CHRNA7 (0.71) CHRNA7HTR3ADYRK1A
SCHEMBL2791345 0.84 CHRNA7 (0.71) CHRNA7HTR3ADYRK1A
Formic Acid SCHEMBL1970233 0.84 CHRNA7 (0.63) CHRNA7HTR3AGSK3BDYRK1A
SCHEMBL15199690 0.84 CHRNA7 (0.58) CHRNA7HTR3AGSK3BDYRK1A
SCHEMBL12044785 0.83 CHRNA7 (0.45) CHRNA7HTR3A
SCHEMBL1963360 0.83 CHRNA7 (0.45) CHRNA7HTR3A

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