SCHEMBL7409690

SCHEMBL7409690

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNB3 Q05901 3/20 0.46
CHRNB1 P11230 2/20 0.46
CHRNA4 P43681 2/20 0.42
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CHRNA6 Q15825 1/20 0.39

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
SCHEMBL8440051 0.94 CHRNB2 (0.52) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7407800 0.94 CHRNB2 (0.52) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7474322 0.87 CHRNB2 (0.44) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7484438 0.87 CHRNB2 (0.44) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7465912 0.87 CHRNB2 (0.57) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7475438 0.86 CHRNB2 (0.45) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7475109 0.86 CHRNB2 (0.54) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL7475269 0.85 CHRNB2 (0.48) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL14941847 0.85 CHRNB2 (0.45) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1
SCHEMBL13335166 0.85 CHRNB2 (0.44) CHRNB2CHRNA3CHRNB4CHRNB3CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP 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