SCHEMBL3226809

SCHEMBL3226809

O=C(C1CC=CC1)N1CC2CCC(C1)NC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 0.58
CHRNA3 P32297 20/20 0.58
CHRNA4 P43681 20/20 0.58
CHRNB3 Q05901 6/20 0.58
CHRNA6 Q15825 6/20 0.58
CHRNB4 P30926 14/20 0.58
CHRNA7 P36544 14/20 0.58

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
SCHEMBL3239097 0.87 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1711127 0.86 CHRNB2 (0.73) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1711449 0.86 CHRNB2 (0.73) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1711218 0.86 CHRNB2 (0.73) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3236529 0.84 CHRNB2 (0.66) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3235635 0.84 CHRNB2 (0.66) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20587813 0.76 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3240388 0.75 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3224736 0.75 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3232314 0.75 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO claimed
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed