SCHEMBL8556820

SCHEMBL8556820

CC(Oc1cnc(F)c(Br)c1)[C@@H]1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
PDCD1LG2 Q9BQ51 2/20 0.30
CD274 Q9NZQ7 2/20 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
SCHEMBL8553260 0.94
SCHEMBL8551464 0.94
SCHEMBL8554334 0.86 MEN1 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8552096 0.86 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8552875 0.86 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7408878 0.85 CHRNB2 (0.37) PDCD1LG2CD274
SCHEMBL8550798 0.85 CHRNB2 (0.37) PDCD1LG2CD274
Hydrochloric Acid SCHEMBL7406659 0.84 CHRNB2 (0.36) PDCD1LG2CD274
SCHEMBL8619125 0.83 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8622165 0.83 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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