SCHEMBL3240417

SCHEMBL3240417

CC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.52
CHRNA3 P32297 17/20 0.52
CHRNA4 P43681 17/20 0.52
CHRNB3 Q05901 2/20 0.52
CHRNA6 Q15825 2/20 0.52
CHRNB4 P30926 15/20 0.52
CHRNA7 P36544 14/20 0.52
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1711288 0.83 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1710983 0.83 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20587813 0.83 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15417831 0.83 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL26694865 0.81 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3236377 0.81 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3241502 0.81 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3236539 0.81 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3239097 0.80 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3228729 0.78 CHRNB2 (0.58) 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