SCHEMBL5073133

SCHEMBL5073133

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CHRNA7 P36544 15/20 0.47
HTR3A P46098 5/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3E A5X5Y0 4/20 0.43
HTR3B O95264 4/20 0.43
HTR3D Q70Z44 4/20 0.43
HTR3C Q8WXA8 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL5076035 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRNA7HTR3A
SCHEMBL5072930 0.88 CHRNA7 (0.52) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL5073043 0.88 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5070841 0.88 MAPT (0.45) CHRM2CHRM1CHRM3CHRNA7HTR3A
SCHEMBL5135536 0.88 CHRNA7 (0.52) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL5072521 0.88 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072894 0.88 MAPT (0.45) CHRM2CHRM1CHRM3CHRNA7HTR3A
SCHEMBL5070891 0.88 ALDH1A1 (0.50) CHRM2CHRM1CHRM3CHRNA7HTR3A
SCHEMBL5076026 0.88 ALDH1A1 (0.50) CHRM2CHRM1CHRM3CHRNA7HTR3A
SCHEMBL5072952 0.87 CHRNA7 (0.44) CHRM2CHRM1CHRM3CHRNA7HTR3A

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