SCHEMBL15516162

SCHEMBL15516162

CN1[C@H]2CC[C@@H]1C(C(=O)O)C(c1ccccc1)C2

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.76
SLC6A2 P23975 5/20 0.76
SLC6A4 P31645 5/20 0.76

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
SCHEMBL7669406 1.00 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7088802 1.00 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL7291113 0.92 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL7291105 0.92 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL9405548 0.90 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL9405547 0.90 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL9405598 0.90 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL6792848 0.89 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4
SCHEMBL7288922 0.89 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL7288917 0.89 SLC6A3 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283060-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Lauren Sciences LLC (US) 2018-02-21 EP disclosed
WO-2016168580-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2016-10-20 WO disclosed
EP-2892510-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Lauren Sciences LLC (US) 2015-07-15 EP disclosed
WO-2014039501-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2014-03-13 WO disclosed