SCHEMBL3233288

SCHEMBL3233288

O=C(C1CC=CC1)N1CC2CCC1CNC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.39
CHRNA3 P32297 16/20 0.39
CHRNA4 P43681 16/20 0.39
CHRNB4 P30926 14/20 0.39
CHRNA7 P36544 12/20 0.39
CHRNB3 Q05901 2/20 0.39
CHRNA6 Q15825 2/20 0.39
MAPT P10636 1/20 0.30

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
SCHEMBL1711421 0.87 CHRNA4 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3237896 0.87 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3231745 0.84 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3228552 0.84 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL25355436 0.76 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL29850875 0.76 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3240362 0.75 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3237837 0.75 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3240396 0.75 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3232435 0.75 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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