SCHEMBL3237105

SCHEMBL3237105

O=C(c1ccc(Cl)o1)N1CC2CCC(C1)NC2

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.79
CHRNB2 P17787 18/20 0.79
CHRNB4 P30926 18/20 0.79
CHRNA3 P32297 18/20 0.79
CHRNA7 P36544 13/20 0.79
HTR3A P46098 1/20 0.60

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
SCHEMBL3333635 0.88 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13302545 0.88 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18556865 0.84 CHRNA4 (0.65) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3233901 0.79 CHRNB2 (0.78) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL584716 0.79 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3232448 0.79 CHRNA4 (0.65) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3233207 0.76 CHRNA4 (0.65) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337041 0.75 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3336604 0.75 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3338171 0.75 CHRNA4 (1.00) 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 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