SCHEMBL3240407

SCHEMBL3240407

O=C(c1cc(Cl)co1)N1CC2CCC1CNC2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.62
CHRNB2 P17787 11/20 0.62
CHRNB4 P30926 11/20 0.62
CHRNA3 P32297 11/20 0.62
CHRNA7 P36544 3/20 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
SCHEMBL3235450 0.79 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3232991 0.77 CHRNA7 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037528 0.76 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3231503 0.75 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3231474 0.74 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL3239241 0.73 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037485 0.73 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3232448 0.72 CHRNA4 (0.65) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3240393 0.72 CHRNA4 (0.39) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3236644 0.70 CHRNA4 (0.62) 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