SCHEMBL7457828

SCHEMBL7457828

CN1[C@H]2CC[C@@H]1[C@H](/C=N\O)[C@@H](c1ccc(Cl)cc1)C2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.70
SLC6A2 P23975 5/20 0.68
SLC6A4 P31645 5/20 0.68

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
SCHEMBL7457839 1.00 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4
SCHEMBL7457834 1.00 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4
SCHEMBL4144592 0.87 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL4144590 0.87 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL7358586 0.86 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL2996399 0.86 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL7358592 0.86 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL7353829 0.86 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL2996400 0.86 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL2996397 0.86 SLC6A3 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756596-B1 TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH AS (DK) 2002-08-21 EP disclosed