SCHEMBL3236313

SCHEMBL3236313

CCOC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA7 P36544 3/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CHRM1 P11229 6/20 0.39
CHRM5 P08912 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3235786 0.90 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711247 0.86 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711187 0.86 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3240293 0.85 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3241502 0.84 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3226830 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3236539 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8102602 0.80 NR1H2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22001901 0.80 NR1H2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22001900 0.80 NR1H2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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