SCHEMBL5072895

SCHEMBL5072895

O=C(N[C@H]1CN2CCC1CC2)Oc1cc(-c2cccnc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.48
HTR3A P46098 6/20 0.48
HTR3E A5X5Y0 5/20 0.48
HTR3B O95264 5/20 0.48
HTR3D Q70Z44 5/20 0.48
HTR3C Q8WXA8 5/20 0.48
NTMT1 Q9BV86 1/20 0.47
DYRK1A Q13627 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
CLK1 P49759 1/20 0.44
HASPIN Q8TF76 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL5072520 1.00 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072904 0.89 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072545 0.89 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072518 0.87 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072529 0.87 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5075187 0.85 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072538 0.85 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4197179 0.84 CHRNB2 (0.55) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5075127 0.84 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7000386 0.84 CHRNA7 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545537-B9 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2008-08-20 EP claimed
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 EP claimed
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP claimed