SCHEMBL6584828

SCHEMBL6584828

COCCOc1cncc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
NPC1 O15118 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
ALOX5 P09917 1/20 0.44
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 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 0.87 MAOB (0.56) MAOBPDGFRBPDGFRALMNAMEN1
SCHEMBL4538153 0.85 MAOB (0.67) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL7595917 0.83 LMNA (0.60) MAOBNPC1LMNAMEN1KMT2A
SCHEMBL22964290 0.83 MAOB (0.54) MAOBNPC1LMNAMEN1KMT2A
SCHEMBL7237701 0.83 MAOB (0.46) MAOBPDGFRBPDGFRANPC1LMNA
SCHEMBL13535019 0.82 AOC3 (0.54) MAOBPDGFRBPDGFRALMNAMEN1
SCHEMBL22964320 0.81 MAOB (0.53) MAOBNPC1LMNAMEN1KMT2A
SCHEMBL7522249 0.81 AKT1 (0.50) MAOBNPC1LMNAMEN1KMT2A
SCHEMBL7103954 0.81 HTR1B (0.57) MAOBNPC1LMNAMEN1KMT2A
SCHEMBL2806051 0.80 MAOB (0.51) MAOBNPC1LMNAMEN1KMT2A

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