SCHEMBL1711526

SCHEMBL1711526

CCC(=O)N1C[C@@H]2CNCC1C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.64
CHRNA4 P43681 15/20 0.64
CHRNA3 P32297 14/20 0.64
CHRNB4 P30926 12/20 0.64
CHRNA7 P36544 12/20 0.64
CHRNB3 Q05901 2/20 0.42
CHRNA6 Q15825 2/20 0.42

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
SCHEMBL2546533 1.00 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711487 0.88 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711593 0.88 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3235805 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711360 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711254 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711223 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711644 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711469 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711368 0.79 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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
EP-2344496-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF Targacept Inc. (US) 2011-07-20 EP disclosed
WO-2010028033-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed