SCHEMBL3228552

SCHEMBL3228552

O=C(C1CCCC1)N1CC2CCC1CNC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.45
CHRNA3 P32297 7/20 0.45
CHRNA4 P43681 7/20 0.45
CHRNB4 P30926 4/20 0.45
CHRNA7 P36544 3/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
CHRNB3 Q05901 3/20 0.42
CHRNA6 Q15825 3/20 0.42
HSD11B1 P28845 5/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.35
HSD11B2 P80365 1/20 0.35

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
SCHEMBL3231745 0.97 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3237896 0.93 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711345 0.85 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711457 0.85 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711257 0.85 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711451 0.85 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3233288 0.84 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711360 0.81 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711254 0.81 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711469 0.81 CHRNB2 (0.62) 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