SCHEMBL7689831

SCHEMBL7689831

CN1C[C@@H]2C[C@H]1CN2c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.56
CHRNA4 P43681 7/20 0.56
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
CHRNA7 P36544 3/20 0.50
KCNH2 Q12809 3/20 0.50
PIK3CD O00329 1/20 0.49

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
SCHEMBL7688424 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19381894 0.80 CHRNA7 (0.58) CHRNA7KCNH2
SCHEMBL26235665 0.80 CHRNA7 (0.58) CHRNA7KCNH2
SCHEMBL2956443 0.79 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5034111 0.77 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5037322 0.77 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2960617 0.76 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6626647 0.75 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3043200 0.75 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24782915 0.73 CHRNB2 (0.47) 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