SCHEMBL5070929

SCHEMBL5070929

O=C(NC1CN2CCC1CC2)Oc1ccc(-c2cccnc2)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NTMT1 Q9BV86 1/20 0.41
CHRNA7 P36544 9/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTR3A P46098 6/20 0.40
HTR3E A5X5Y0 4/20 0.40
HTR3B O95264 4/20 0.40
HTR3D Q70Z44 4/20 0.40
HTR3C Q8WXA8 4/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL7005735 1.00 KCNH2 (0.49) KCNH2ALDH1A1POLBNTMT1CHRNA7
SCHEMBL5072525 0.88 ALDH1A1 (0.48) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL5072920 0.88 ALDH1A1 (0.48) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL5073098 0.87 CHRNA7 (0.51) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL5072527 0.87 CHRNA7 (0.51) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL4209096 0.82 ALDH1A1 (0.62) KCNH2ALDH1A1POLBCHRNA7CHRNB2
SCHEMBL4211060 0.82 ALDH1A1 (0.62) KCNH2ALDH1A1POLBCHRNA7CHRNB2
SCHEMBL5070841 0.82 MAPT (0.45) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL5073043 0.82 CHRNA7 (0.48) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL5072521 0.82 CHRNA7 (0.48) ALDH1A1POLBCHRNA7HTR3AHTR3E

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