SCHEMBL7687971

SCHEMBL7687971

CC(C)Oc1cncc(N2CC3CNC(C3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.57
CHRNA4 P43681 11/20 0.57
CHRNB4 P30926 11/20 0.45
CHRNA3 P32297 11/20 0.45
CHRNA7 P36544 2/20 0.41
CHRNB3 Q05901 2/20 0.41
CHRNA6 Q15825 2/20 0.41

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
SCHEMBL7689980 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4006560 0.88 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7686344 0.86 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7685734 0.86 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5371167 0.86 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5366817 0.86 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7688437 0.85 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7684006 0.83 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4008526 0.81 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4006396 0.81 CHRNB2 (0.55) 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