SCHEMBL5508372

SCHEMBL5508372

COc1cncc(C2NCC23CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.38
CHRNA4 P43681 15/20 0.38
CHRNA3 P32297 9/20 0.38
CHRNB4 P30926 8/20 0.38
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33

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
SCHEMBL5504443 0.84 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB4CYP11B1
SCHEMBL5507467 0.80 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5503087 0.80 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5502458 0.78 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5507734 0.76 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5507522 0.73
SCHEMBL3463107 0.73 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CYP1A2
SCHEMBL5506753 0.73 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5508108 0.70 SLC6A2 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3463808 0.69 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CYP1A2

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