SCHEMBL7368701

SCHEMBL7368701

CN1CC[C@H]1COc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.86
CHRNB2 P17787 5/20 0.86
CHRNB4 P30926 4/20 0.86
CHRNA4 P43681 4/20 0.86
CHRNB1 P11230 3/20 0.86
CHRNB3 Q05901 3/20 0.86
CHRNA1 P02708 1/20 0.86
CHRNA7 P36544 1/20 0.86
DAPK3 O43293 1/20 0.60
ROCK2 O75116 1/20 0.60
PRKCG P05129 1/20 0.60
PIM1 P11309 1/20 0.60
RPS6KB1 P23443 1/20 0.60
AKT1 P31749 1/20 0.60
LIMK1 P53667 1/20 0.60
CDK5 Q00535 1/20 0.60
PRKCD Q05655 1/20 0.60
PAK1 Q13153 1/20 0.60
STK3 Q13188 1/20 0.60
ROCK1 Q13464 1/20 0.60

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
SCHEMBL13424978 1.00 CHRNA3 (0.86) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL905202 1.00 CHRNA3 (0.86) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL30820824 1.00 CHRNA3 (0.86) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL7839188 0.99 CHRNB2 (0.84) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL7455769 0.99 CHRNB2 (0.84) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL7415807 0.99 CHRNB2 (0.84) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL29484629 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL7372710 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL12214039 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL676032 0.93 CHRNB2 (1.00) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP claimed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US claimed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP claimed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP claimed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 WO claimed
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP disclosed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP disclosed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 WO disclosed