SCHEMBL3228729

SCHEMBL3228729

CCCC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.58
CHRNA3 P32297 11/20 0.58
CHRNA4 P43681 11/20 0.58
CHRNB3 Q05901 2/20 0.58
CHRNA6 Q15825 2/20 0.58
CHRNB4 P30926 9/20 0.43
CHRNA7 P36544 9/20 0.43
EPHX1 P07099 2/20 0.35
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 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
SCHEMBL3236539 0.87 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1711364 0.86 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3239629 0.81 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3232602 0.80 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3240417 0.78 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3235821 0.78 KMT2A (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3236313 0.78 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3235786 0.78 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3225870 0.78 LMNA (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1722528 0.77 CHRNB2 (0.53) 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