SCHEMBL5509936

SCHEMBL5509936

N#Cc1cncc(C2CCNC23CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.39
CHRNA4 P43681 14/20 0.39
CHRNB4 P30926 12/20 0.39
CHRNA3 P32297 12/20 0.39
CHRNA7 P36544 3/20 0.33
NPY5R Q15761 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CHRNA1 P02708 2/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRND Q07001 1/20 0.31
CHRNA2 Q15822 1/20 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
SCHEMBL3463963 0.80 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5506451 0.79 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5508758 0.76 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5512406 0.75 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12975532 0.73 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5509082 0.72 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5502190 0.72 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL2346929 0.72 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL3463696 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3463314 0.70 CHRNB2 (0.34) 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 4 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
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO disclosed