SCHEMBL3232602

SCHEMBL3232602

COCC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.42
CHRNA4 P43681 12/20 0.42
CHRNA3 P32297 11/20 0.42
CHRNB4 P30926 9/20 0.42
CHRNA7 P36544 9/20 0.42
CHRNB3 Q05901 2/20 0.37
CHRNA6 Q15825 2/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3236539 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3228729 0.80 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3239629 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3241502 0.80 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3240293 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3240417 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3236313 0.77 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL14211242 0.75 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL20587813 0.75 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1463705 0.74 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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