SCHEMBL7412103

SCHEMBL7412103

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.48
CHRNA4 P43681 5/20 0.48
CHRNA3 P32297 4/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNB1 P11230 2/20 0.42
CHRNB3 Q05901 2/20 0.42
ALOX5AP P20292 2/20 0.41
NPC1 O15118 1/20 0.41
CHRNA2 Q15822 1/20 0.40

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
SCHEMBL7475269 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL1241249 0.94 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7370320 0.94 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL1241247 0.94 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7465912 0.89 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7475109 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7475438 0.88 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL12807576 0.87 DAPK3 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7474322 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL2300523 0.87 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed