SCHEMBL8552411

SCHEMBL8552411

CCNc1cc(OC(C)[C@@H]2CCCN2)cnc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GPR88 Q9GZN0 1/20 0.30

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
SCHEMBL8554428 0.87 CHRNA3 (0.34) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL8619125 0.83 SLC6A2 (0.34) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL8622165 0.83 SLC6A2 (0.34) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL8552875 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL8556820 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL8554334 0.79 MEN1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7824953 0.78 CHRNB2 (0.55) CHRNB2CHRNA4
SCHEMBL7827369 0.78 CHRNB2 (0.55) CHRNB2CHRNA4
SCHEMBL8551051 0.78 ADRA2A (0.33) SLC6A2SLC6A4
SCHEMBL7413844 0.76 ACACB (0.35)

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 claimed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO claimed