SCHEMBL1965206

SCHEMBL1965206

COC1CCN(c2ccc3[nH]nc(C(=O)NC4CN5CCC4CC5)c3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.64
HTR3A P46098 3/20 0.64
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
DYRK1A Q13627 3/20 0.44
GSK3B P49841 1/20 0.44
USP30 Q70CQ3 3/20 0.43
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
SCHEMBL10225547 1.00 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1965204 1.00 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
Formic Acid SCHEMBL492316 0.96 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492774 0.94 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964731 0.88 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492197 0.88 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL10225553 0.88 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL2789474 0.86 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1969044 0.86 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1969039 0.86 CHRNA7 (0.71) 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