SCHEMBL7097968

SCHEMBL7097968

c1ncc(OCCN2CCCC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.66
CHRNA4 P43681 1/20 0.66
LTA4H P09960 11/20 0.57
PTGS2 P35354 2/20 0.54
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
HRH3 Q9Y5N1 3/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL27995047 0.89 HRH3 (0.60) CHRNB2CHRNA4HRH3
SCHEMBL7411609 0.80 CHRNB2 (1.00) CHRNB2CHRNA4LTA4HPTGS2
SCHEMBL2935953 0.78 CHRNB2 (0.57) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL15884244 0.78 CHRNB2 (0.57) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL18474493 0.78 CHRNB2 (0.57) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL25578979 0.78 CHRNB2 (0.43) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL25059331 0.78 LTA4H (0.87) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL2933385 0.77 CHRNB2 (0.56) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL18837471 0.76 LTA4H (0.84) CHRNB2CHRNA4LTA4HPTGS2PSMB1
SCHEMBL26796103 0.76 KDM4E (0.60) CHRNB2CHRNA4LTA4HPSMB1PSMB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500393-A 2003-01-07 JP claimed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP claimed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO claimed