SCHEMBL4720447

SCHEMBL4720447

OC[C@@H](O)[C@H](c1ccccc1)N1CC2([CH]CCCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.51
SLC6A4 P31645 20/20 0.51
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL4717545 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4079938 0.80 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3
SCHEMBL5729949 0.73 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3
SCHEMBL4090376 0.72 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL4078855 0.71 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL4080079 0.69 SLC6A4 (0.55) SLC6A2SLC6A4
SCHEMBL4087063 0.69 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL5482250 0.69 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3
SCHEMBL5484270 0.69 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3
SCHEMBL4082317 0.68 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3

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-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed