SCHEMBL7689893

SCHEMBL7689893

COc1cncc(N2CC3CNCC2C3)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.68
CHRNA4 P43681 15/20 0.68
CHRNB4 P30926 10/20 0.62
CHRNA3 P32297 10/20 0.62
CHRNA7 P36544 1/20 0.46

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
SCHEMBL5379681 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5372757 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7689707 0.86 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7683610 0.86 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5371326 0.83 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7685783 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2952673 0.82 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7683589 0.81 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689605 0.81 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5367436 0.81 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3

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
US-6440970-B1 ACTIVATING NICOTINIC CHOLERGINIC RECEPTORS TARGACEPT, INC. 2002-08-27 US disclosed