SCHEMBL3241502

SCHEMBL3241502

COC(=O)N1CC2CCC(C1)NC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.56
CHRNA4 P43681 14/20 0.56
CHRNA3 P32297 13/20 0.50
CHRNB4 P30926 12/20 0.50
CHRNA7 P36544 11/20 0.45
TSHR P16473 1/20 0.35
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33

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
SCHEMBL1711502 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711284 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711262 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3236313 0.84 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3237224 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL22001900 0.83 NR1H2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL8102602 0.83 NR1H2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL22001901 0.83 NR1H2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3240293 0.82 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3240417 0.81 CHRNB2 (0.52) 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
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