SCHEMBL4744168

SCHEMBL4744168

C[AsH]CC(O)C(c1cccc(F)c1)n1ccc2c(F)cccc21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.72
SLC6A4 P31645 19/20 0.72

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
SCHEMBL4081936 0.86 SLC6A2 (0.75) SLC6A2SLC6A4
SCHEMBL4080125 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4077633 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4078934 0.83 SLC6A2 (0.98) SLC6A2SLC6A4
SCHEMBL4077328 0.77 SLC6A2 (0.78) SLC6A2SLC6A4
SCHEMBL4079071 0.74 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4088702 0.74 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4083833 0.74 SLC6A4 (0.59) SLC6A2SLC6A4
SCHEMBL4080622 0.74 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4082263 0.74 SLC6A2 (1.00) SLC6A2SLC6A4

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-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed