SCHEMBL4606106

SCHEMBL4606106

CN1CCC(Oc2ccc3c(C(=O)NC4CN5CCC4CC5)n[nH]c3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.64
HTR3A P46098 1/20 0.64
DYRK1A Q13627 14/20 0.46
GSK3B P49841 12/20 0.46
CLK2 P49760 2/20 0.45
CLK3 P49761 2/20 0.45
WNT1 P04628 1/20 0.43

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
SCHEMBL492823 1.00 CHRNA7 (0.64) CHRNA7HTR3ADYRK1AGSK3BCLK2
SCHEMBL2787737 0.93 CHRNA7 (0.64) CHRNA7HTR3ADYRK1AGSK3BCLK2
Formic Acid SCHEMBL1965954 0.89 CHRNA7 (0.60) CHRNA7HTR3ADYRK1AGSK3BCLK2
SCHEMBL1963239 0.88 CHRNA7 (0.70) CHRNA7HTR3AGSK3B
SCHEMBL1963670 0.88 CHRNA7 (0.70) CHRNA7HTR3AGSK3B
SCHEMBL4602686 0.87 CHRNA7 (0.64) CHRNA7HTR3A
SCHEMBL492754 0.87 CHRNA7 (0.64) CHRNA7HTR3A
Hydrochloric Acid SCHEMBL1963923 0.87 CHRNA7 (0.69) CHRNA7HTR3AGSK3B
SCHEMBL491613 0.85 CHRNA7 (0.62) CHRNA7HTR3A
SCHEMBL1964895 0.84 CHRNA7 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP claimed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO claimed