SCHEMBL5506451

SCHEMBL5506451

Brc1cncc(C2CCNC23CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.33
CHRNA4 P43681 9/20 0.33
CHRNB4 P30926 5/20 0.31
CHRNA3 P32297 5/20 0.31

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
SCHEMBL5509936 0.79 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3464898 0.79 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL5508758 0.78 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5512406 0.78 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5509082 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5502190 0.75 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL5508814 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28866380 0.69 HTR3A (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3465418 0.69 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1426303 0.68 POLB (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP claimed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO claimed