SCHEMBL5070828

SCHEMBL5070828

O=C(NC1CN2CCC1CC2)Oc1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 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
SCHEMBL5072952 1.00 CHRNA7 (0.44) CHRNA7CHRM2CHRM1CHRM3CYP1A2
SCHEMBL5076035 0.87 CHRM2 (0.48) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL5073133 0.87 CHRM2 (0.48) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL5072521 0.85 CHRNA7 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5070841 0.85 MAPT (0.45) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL5072930 0.85 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5135536 0.85 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5073043 0.85 CHRNA7 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5072894 0.85 MAPT (0.45) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL5073098 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3HTR3E

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