SCHEMBL3225909

SCHEMBL3225909

O=C(c1cnco1)N1CC2CCC(C1)NC2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 18/20 0.64
CHRNB2 P17787 16/20 0.60
CHRNB4 P30926 16/20 0.60
CHRNA3 P32297 16/20 0.60
CHRNA7 P36544 15/20 0.60
RIPK1 Q13546 1/20 0.40
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL13302572 0.88 CHRNA4 (0.74) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335739 0.88 CHRNA4 (0.74) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13302550 0.88 CHRNA4 (0.74) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14211203 0.79 CHRNA4 (0.68) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3233901 0.79 CHRNB2 (0.78) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL584504 0.79 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3232448 0.76 CHRNA4 (0.65) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3241424 0.76 CHRNA4 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL585222 0.75 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3233822 0.75 CHRNA4 (0.44) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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 1 patent. 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