SCHEMBL7683589

SCHEMBL7683589

c1ncc(N2CC3CNCC2C3)cc1OC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.53
CHRNA4 P43681 7/20 0.53
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
CHUK O15111 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
CLK2 P49760 1/20 0.42
PRKX P51817 1/20 0.42
PRKG2 Q13237 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL7684237 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7687962 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689893 0.81 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5379681 0.81 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5372757 0.81 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689707 0.78 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7683610 0.78 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5986516 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7683298 0.77 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHUK
SCHEMBL7690200 0.77 CHRNB2 (0.59) 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