SCHEMBL5731317

SCHEMBL5731317

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

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL5731295 0.89 SLC6A3 (0.59) SLC6A3
SCHEMBL5731357 0.89 SLC6A3 (0.59) SLC6A3
SCHEMBL8692529 0.89 SLC6A3 (0.59) SLC6A3
SCHEMBL5731428 0.87 SLC6A3 (0.76) SLC6A3
SCHEMBL6041887 0.79 SLC6A3 (0.62) SLC6A3
SCHEMBL6152741 0.77 SLC6A3 (0.65) SLC6A3
SCHEMBL6944834 0.76 SLC6A3 (0.60) SLC6A3
SCHEMBL7347413 0.76 SLC6A3 (0.80) SLC6A3
SCHEMBL6574450 0.76 SLC6A3 (0.80) SLC6A3
SCHEMBL5307753 0.76 SLC6A3 (0.80) SLC6A3

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-0905135-B1 Cocaine receptor binding ligands RES TRIANGLE INST (US) 2006-09-06 EP disclosed
EP-0905135-A2 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 1999-03-31 EP disclosed