SCHEMBL7347111

SCHEMBL7347111

CN1C2CCC1[C@@H](C(=O)O)[C@@H](c1ccc(Br)cc1)C2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.75
SLC6A2 P23975 3/20 0.75
SLC6A4 P31645 3/20 0.75

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
SCHEMBL8695712 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7347105 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7288922 0.88 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL5000882 0.88 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL7288917 0.88 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL5000883 0.88 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL15516162 0.87 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7088802 0.87 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7669406 0.87 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7289188 0.86 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905135-A2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 1999-03-31 EP claimed
EP-0644775-B1 Cocaine Receptor Binding Ligands RES TRIANGLE INST (US) 1999-08-04 EP disclosed
EP-0905135-A2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 1999-03-31 EP disclosed
US-5496953-A DOPAMINE TRANSPORTER SITES, RADIOACTIVE, DIAGNOSIS, IMAGING, NORTROPANE DERIVATIVES RESEARCH TRIANGLE INSTITUTE (US) 1996-03-05 US disclosed
US-5380848-A 8-azabicyclo(3.2.1)octanes RESEARCH TRIANGLE INSTITUTE (US) 1995-01-10 US disclosed