SCHEMBL7687904

SCHEMBL7687904

Ic1cncc(N2CC3CCC(C2)NC3)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNB4 P30926 10/20 0.44
CHRNA3 P32297 10/20 0.44

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
SCHEMBL7688755 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6188999 0.85 CHRNB4 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7690391 0.84 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7685560 0.83 CHRNB4 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7681559 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7688295 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7690301 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7684218 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2959555 0.80 CHRNA3 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2958886 0.78 CHRNB2 (0.45) 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