SCHEMBL5503087

SCHEMBL5503087

c1ncc(C2NCC23CC3)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
BTK Q06187 1/20 0.33
CHUK O15111 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31
CLK2 P49760 1/20 0.31
PRKX P51817 1/20 0.31
PRKG2 Q13237 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
PRKG1 Q13976 1/20 0.31
PKN2 Q16513 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
SCHEMBL5508372 0.80 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5504443 0.77 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3465156 0.76 CHRNB2 (0.43) CHRNB2CHRNA4PDGFRBPDGFRABTK
SCHEMBL5507467 0.76 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5502458 0.74 CHRNB2 (0.40) CHRNB2CHRNA4PIM1CHRNB4CHRNA3
SCHEMBL3463615 0.73 CHRNB2 (0.40) CHRNB2CHRNA4PDGFRBPDGFRABTK
SCHEMBL5507734 0.72 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5502190 0.72 CHRNB2 (0.42) CHRNB2CHRNA4PDGFRBPDGFRACHUK
SCHEMBL3464836 0.70 CHRNB2 (0.41) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL3463880 0.70 CHRNB2 (0.40) CHRNB2CHRNA4PDGFRBPDGFRABTK

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