SCHEMBL8554512

SCHEMBL8554512

O=[N+]([O-])c1cncc(OC[C@H]2CCCN2)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.63
CHRNA3 P32297 2/20 0.63
CHRNB2 P17787 8/20 0.57
CHRNA4 P43681 8/20 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
Hydrochloric Acid SCHEMBL7827331 0.99 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4AKT1
SCHEMBL7419252 0.91 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL7408630 0.91 CHRNB2 (0.60) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7409809 0.90 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL9239044 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9243580 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9239052 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9240140 0.80 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9240142 0.80 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9243429 0.80 CHRNB4 (0.61) 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 2 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 disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed