SCHEMBL5072602

SCHEMBL5072602

O=C(NC1CN2CCC1CC2)Oc1ccc(-c2ccco2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.46
HTR3A P46098 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
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
SCHEMBL5072528 1.00 CHRNA7 (0.46) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL5073098 0.85 CHRNA7 (0.51) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL5072527 0.85 CHRNA7 (0.51) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL5072541 0.83 ALDH1A1 (0.45) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL5073032 0.83 ALDH1A1 (0.45) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL4204798 0.82 ALDH1A1 (0.61) CHRNA7HTR3ACHRNB4CHRNA3HTR3E
SCHEMBL4199079 0.82 ALDH1A1 (0.61) CHRNA7HTR3ACHRNB4CHRNA3HTR3E
SCHEMBL5072898 0.82 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL7001352 0.82 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL5072525 0.81 ALDH1A1 (0.48) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2

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