SCHEMBL7684237

SCHEMBL7684237

c1ncc(N2C[C@H]3C[C@@H]2CN3)cc1OC1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.67
CHRNA4 P43681 13/20 0.67
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53

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
SCHEMBL7687962 1.00 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2955099 0.85 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2962783 0.85 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5987034 0.85 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7683589 0.85 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7683298 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689605 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5367436 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5988311 0.80 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2961161 0.80 CHRNB2 (0.55) 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