SCHEMBL3226632

SCHEMBL3226632

O=C(N1CC2CCC(C1)NC2)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.45
CHRNA3 P32297 15/20 0.45
CHRNA4 P43681 15/20 0.45
CHRNB4 P30926 13/20 0.45
CHRNA7 P36544 13/20 0.45
EPHX1 P07099 3/20 0.33
CHRNB3 Q05901 2/20 0.33
CHRNA6 Q15825 2/20 0.33
EPHX2 P34913 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL1711243 0.85 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711527 0.85 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711255 0.85 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20587813 0.79 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL12926722 0.78 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3240417 0.77 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL26694865 0.77 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3239629 0.77 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3239097 0.76 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Isoquinuclidine SCHEMBL3913758 0.74 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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 disclosed
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed