SCHEMBL7688770

SCHEMBL7688770

CCOc1cncc(N2C[C@@H]3C[C@H]2CN3)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.75
CHRNA4 P43681 15/20 0.75
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56

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
SCHEMBL7685450 1.00 CHRNB2 (0.75) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7685884 0.87 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7683851 0.87 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689605 0.86 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5367436 0.86 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5379868 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5043505 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21963806 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22015435 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7689707 0.82 CHRNB2 (0.60) 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