SCHEMBL1711223

SCHEMBL1711223

O=C(C1CC1)N1C[C@@H]2CNCC1C2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.62
CHRNA4 P43681 19/20 0.62
CHRNA3 P32297 18/20 0.62
CHRNB4 P30926 16/20 0.62
CHRNA7 P36544 15/20 0.62
CHRNB3 Q05901 2/20 0.59
CHRNA6 Q15825 2/20 0.59
MAPT P10636 1/20 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
SCHEMBL1711644 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711360 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711254 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711469 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711451 0.93 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711257 0.93 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711345 0.93 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711457 0.93 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3237896 0.87 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711421 0.84 CHRNA4 (0.45) 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