SCHEMBL5075185

SCHEMBL5075185

O=C(N[C@H]1CN2CCC1CC2)Oc1ccc(Oc2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.52
HTR3A P46098 7/20 0.50
HTR3E A5X5Y0 6/20 0.50
HTR3B O95264 6/20 0.50
HTR3D Q70Z44 6/20 0.50
HTR3C Q8WXA8 6/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL5076084 1.00 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4205161 0.85 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4201286 0.85 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7060835 0.84 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073039 0.84 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5076055 0.84 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072901 0.84 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7006932 0.81 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7004543 0.81 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7003136 0.81 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