SCHEMBL3236539

SCHEMBL3236539

CCC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.56
CHRNA3 P32297 14/20 0.56
CHRNA4 P43681 14/20 0.56
CHRNB3 Q05901 4/20 0.56
CHRNA6 Q15825 4/20 0.56
CHRNB4 P30926 10/20 0.56
CHRNA7 P36544 10/20 0.56
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3228729 0.87 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1711422 0.85 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3239629 0.83 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3232602 0.83 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3240417 0.81 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3235821 0.81 KMT2A (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3236313 0.81 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL16490225 0.80 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3239097 0.79 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20587813 0.79 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