SCHEMBL5070841

SCHEMBL5070841

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CHRNA7 P36544 11/20 0.45
HTR3A P46098 7/20 0.45
HTR3E A5X5Y0 5/20 0.45
HTR3B O95264 5/20 0.45
HTR3D Q70Z44 5/20 0.45
HTR3C Q8WXA8 5/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL5072894 1.00 MAPT (0.45) MAPTCHRNA7HTR3AHTR3EHTR3B
SCHEMBL5072930 0.88 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5135536 0.88 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073043 0.88 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073133 0.88 CHRM2 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5076035 0.88 CHRM2 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072521 0.88 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073095 0.88 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073041 0.88 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072527 0.87 CHRNA7 (0.51) 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