SCHEMBL7104153

SCHEMBL7104153

CC(N)CCOc1cncc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.44
MAOB P27338 3/20 0.44
AOC3 Q16853 1/20 0.43
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PRKX P51817 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG2 Q13237 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN2 Q16513 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42

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
SCHEMBL8512404 0.82 MAOB (0.56) MAOBPDGFRBPDGFRARAB9ASMN1; SMN2
SCHEMBL13535019 0.81 AOC3 (0.54) MAOBAOC3PDGFRBPDGFRACHRNB2
SCHEMBL7522249 0.80 AKT1 (0.50) AKT1MAOBROCK2MAP4K4PIM1
SCHEMBL6584828 0.80 MAOB (0.53) MAOBPDGFRBPDGFRACHRNB2CHRNB4
SCHEMBL7101811 0.78 CHRNB2 (0.40) AKT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7237701 0.78 MAOB (0.46) MAOBPDGFRBPDGFRARAB9ASMN1; SMN2
SCHEMBL4538153 0.77 MAOB (0.67) MAOBPDGFRBPDGFRAMAPTMEN1
SCHEMBL6584825 0.77 MAOB (0.50) AKT1MAOBROCK2RPS6KA5MAP4K4
SCHEMBL20729413 0.77 ALOX5 (0.47) MAOBPDGFRBPDGFRARAB9ASMN1; SMN2
SCHEMBL7103954 0.76 HTR1B (0.57) MAOBCHRNB2CHRNA4LTA4HSMN1; SMN2

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