SCHEMBL8551635

SCHEMBL8551635

NC(=O)c1cncc(OC[C@H]2CCCN2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.67
CHRNA3 P32297 2/20 0.67
CHRNB2 P17787 7/20 0.57
CHRNA4 P43681 7/20 0.57
AKT1 P31749 1/20 0.55
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
CHRNB1 P11230 1/20 0.54
CHRND Q07001 1/20 0.54

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
SCHEMBL8550066 0.91 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL8553582 0.91 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL30344019 0.81 CHRNB4 (0.66) CHRNB4CHRNA3
SCHEMBL31475515 0.80 PARP15 (0.60)
SCHEMBL7824062 0.78 CHRNA3 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7817209 0.78 CHRNA3 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7823526 0.78 CHRNA3 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7818196 0.78 CHRNA3 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7827194 0.78 CHRNA3 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7817793 0.78 CHRNA3 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4

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-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP claimed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO claimed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed