SCHEMBL3239097

SCHEMBL3239097

O=C(C1CC1)N1CC2CCC(C1)NC2

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.75
CHRNA3 P32297 16/20 0.75
CHRNA4 P43681 16/20 0.75
CHRNB4 P30926 9/20 0.75
CHRNA7 P36544 9/20 0.75
CHRNB3 Q05901 7/20 0.61
CHRNA6 Q15825 7/20 0.61
HSD11B1 P28845 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 1/20 0.38
HSD11B2 P80365 1/20 0.37

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
SCHEMBL3236529 0.93 CHRNB2 (0.66) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3235635 0.93 CHRNB2 (0.66) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3226809 0.87 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711532 0.86 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711592 0.86 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711180 0.86 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20587813 0.81 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3225913 0.80 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3240388 0.80 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3228686 0.80 CHRNB2 (0.60) 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 claimed
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed