SCHEMBL7687947

SCHEMBL7687947

CC(C)COc1cncc(N2CC3CNCC(C3)C2)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.56
CHRNA4 P43681 9/20 0.56
CHRNB4 P30926 7/20 0.50
CHRNA3 P32297 7/20 0.50
CHRNA7 P36544 1/20 0.50

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
SCHEMBL7688437 0.87 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6190096 0.86 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7685783 0.86 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7686344 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5371326 0.82 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7690679 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7685793 0.80 CHRNB4 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6187460 0.79 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2952658 0.77 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2962577 0.76 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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