SCHEMBL8552096

SCHEMBL8552096

Cc1ncc(OC(C)[C@H]2CCCN2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA2 Q15822 2/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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 SCHEMBL7409243 0.92 CHRNB2 (0.30) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL7816781 0.87 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7408878 0.86 CHRNB2 (0.37) CHRNB2PDCD1LG2CD274CHRNA4
SCHEMBL8556820 0.86 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8550798 0.86 CHRNB2 (0.37) CHRNB2PDCD1LG2CD274CHRNA4
Hydrochloric Acid SCHEMBL7406659 0.85 CHRNB2 (0.36) CHRNB2PDCD1LG2CD274CHRNA4
SCHEMBL8552081 0.80 IRAK4 (0.41)
SCHEMBL8555012 0.80 CHRNB2 (0.33) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL8551114 0.80 CHRNB2 (0.33) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL8554864 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CHRNB2CHRNB4

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