SCHEMBL6584825

SCHEMBL6584825

COC(C)Oc1cncc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.41
AKT1 P31749 2/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41

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 0.84 MAOB (0.56) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL4538153 0.83 MAOB (0.67) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL13535019 0.80 AOC3 (0.54) MAOBPDGFRBPDGFRACHRNB2CHRNB4
SCHEMBL20729413 0.79 ALOX5 (0.47) MAOBPDGFRBPDGFRAALOX5L3MBTL1
SCHEMBL6584828 0.79 MAOB (0.53) MAOBPDGFRBPDGFRACHRNB2CHRNB4
SCHEMBL7104153 0.77 AKT1 (0.44) MAOBPDGFRBPDGFRACHRNB2CHRNB4
SCHEMBL7413130 0.77 CHRNB2 (0.44) MAOBPDGFRBPDGFRACHRNB2CHRNB4
SCHEMBL13535014 0.76 PDGFRB (0.49) MAOBPDGFRBPDGFRACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL7412321 0.76 CHRNB2 (0.44) MAOBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20314429 0.75 MAPK1 (0.49) MAOBPDGFRBPDGFRACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP disclosed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO disclosed