SCHEMBL3240293

SCHEMBL3240293

COCCOC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.39
CHRNA4 P43681 10/20 0.39
CHRNB4 P30926 8/20 0.39
CHRNA3 P32297 8/20 0.39
CHRNA7 P36544 7/20 0.39
MMP2 P08253 3/20 0.33
MMP3 P08254 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 3/20 0.33
MMP1 P03956 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
F10 P00742 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL1710950 0.87 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1711203 0.87 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3235786 0.87 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3236313 0.85 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3226830 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3241502 0.82 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3232602 0.78 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1979000 0.77 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3
SCHEMBL8102602 0.75 NR1H2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22001901 0.75 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