SCHEMBL5073095

SCHEMBL5073095

O=C(NC1CN2CCC1CC2)Oc1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.54
HTR3A P46098 3/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
GLA P06280 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
SCHEMBL5073041 1.00 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5070891 0.89 ALDH1A1 (0.50) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5076026 0.89 ALDH1A1 (0.50) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5072527 0.89 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073098 0.89 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5070841 0.88 MAPT (0.45) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5072894 0.88 MAPT (0.45) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5072525 0.87 ALDH1A1 (0.48) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5072920 0.87 ALDH1A1 (0.48) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5073032 0.84 ALDH1A1 (0.45) CHRNA7HTR3AHTR3EHTR3BALOX15

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