SCHEMBL7689890

SCHEMBL7689890

c1ccc(-c2cncc(N3C[C@@H]4C[C@H]3CN4)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.67
CHRNA4 P43681 14/20 0.67
CHRNB4 P30926 2/20 0.62
CHRNA3 P32297 2/20 0.62

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
SCHEMBL6626932 1.00 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7687628 1.00 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2959752 0.85 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6226539 0.85 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6226545 0.85 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4006428 0.84 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5987077 0.81 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2949362 0.81 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2962714 0.81 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2955020 0.80 CHRNB2 (0.70) 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