SCHEMBL7683728

SCHEMBL7683728

Clc1cncc(N2CC3CNC(C3)C2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.68
CHRNA3 P32297 10/20 0.68
CHRNB2 P17787 8/20 0.62
CHRNA4 P43681 8/20 0.62
CHRNA7 P36544 2/20 0.43
CHRNA1 P02708 1/20 0.43

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
SCHEMBL7685560 0.87 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL4012240 0.85 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL4008509 0.84 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL7681509 0.84 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6186900 0.84 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL7681539 0.83 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL7688755 0.83 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL7684252 0.83 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL4001648 0.82 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL4012949 0.82 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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