SCHEMBL3240396

SCHEMBL3240396

O=C(C1C[C@H]1F)N1C[C@@H]2CCC1CNC2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 0.55
CHRNA3 P32297 20/20 0.55
CHRNA4 P43681 20/20 0.55
CHRNB4 P30926 15/20 0.55
CHRNA7 P36544 15/20 0.55
CHRNB3 Q05901 5/20 0.40
CHRNA6 Q15825 5/20 0.40

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
SCHEMBL3237837 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3235423 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3235415 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3237830 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3240362 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711347 0.89 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL12240694 0.89 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711356 0.89 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1710962 0.89 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711483 0.89 CHRNB2 (0.65) 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