SCHEMBL7001352

SCHEMBL7001352

O=C(N[C@H]1CN2CCC1CC2)Oc1ccc(-c2cccs2)o1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.54
HTR3A P46098 6/20 0.54
HTR3E A5X5Y0 5/20 0.54
HTR3B O95264 5/20 0.54
HTR3D Q70Z44 5/20 0.54
HTR3C Q8WXA8 5/20 0.54
CHRM3 P20309 5/20 0.50
CHRM2 P08172 4/20 0.50
CHRM1 P11229 4/20 0.50
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 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
SCHEMBL5072898 1.00 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5073098 0.83 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072527 0.83 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072602 0.82 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4194874 0.82 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072528 0.82 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4194875 0.82 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5076078 0.81 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5075254 0.81 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072525 0.81 ALDH1A1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP claimed