SCHEMBL7101811

SCHEMBL7101811

CC(N)CCOc1cncc(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
AKT1 P31749 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34

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
SCHEMBL7238338 0.80 CHRNB2 (0.41) CHRNB2CHRNA4PIK3CDPIP5K1CPIK3CA
SCHEMBL27599231 0.78 CHRNB2 (0.49) CHRNB2CHRNA4PIK3CDPIP5K1CPIK3CA
SCHEMBL7104153 0.78 AKT1 (0.44) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL7101816 0.76 KDM4E (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23917658 0.76 CHRNB2 (0.36) CHRNB2CHRNA4TDP1PIK3CDPIP5K1C
SCHEMBL25623895 0.73 CHRNB2 (0.36) CHRNB2CHRNA4PIK3CDPIP5K1CPIK3CA
SCHEMBL14396218 0.72 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL12925127 0.71 CYP1A1 (0.47) CHRNB2CHRNA4PIK3CDPIP5K1CPIK3CA
SCHEMBL3940185 0.70 PIK3CD (0.46) CHRNB2CHRNA4PIK3CDPIP5K1CPIK3CA
SCHEMBL25637548 0.69 TDP1 (0.46) CHRNB2CHRNA4TDP1CHRNB4CHRNA3

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