SCHEMBL5509082

SCHEMBL5509082

CC(C)Oc1cncc(C2CCNC23CC3)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.36
CHRNA4 P43681 6/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNB3 Q05901 3/20 0.36
CHRNA6 Q15825 3/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA7 P36544 1/20 0.36
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
POLB P06746 1/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL5512406 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3464670 0.82 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL5502190 0.79 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL5508814 0.76 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5506451 0.75 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL3465000 0.73 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3464520 0.73 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL5509936 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3463089 0.72 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL5508758 0.72 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA3CHRNB4

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 disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO disclosed