SCHEMBL4682597

SCHEMBL4682597

OCC(O)C(c1cccc(F)c1)n1ccc2cc(C(F)(F)F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.60
SLC6A4 P31645 20/20 0.60

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
SCHEMBL4091784 1.00 SLC6A2 (0.60) SLC6A2SLC6A4
SCHEMBL4079905 0.89 SLC6A4 (0.55) SLC6A2SLC6A4
SCHEMBL4081836 0.88 SLC6A2 (0.74) SLC6A2SLC6A4
SCHEMBL4091373 0.87 SLC6A2 (0.80) SLC6A2SLC6A4
SCHEMBL4085655 0.87 SLC6A2 (0.80) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4090514 0.86 SLC6A2 (0.79) SLC6A2SLC6A4
SCHEMBL4086570 0.85 SLC6A2 (0.80) SLC6A2SLC6A4
SCHEMBL4091046 0.84 SLC6A2 (0.77) SLC6A2SLC6A4
SCHEMBL4080646 0.84 SLC6A2 (0.77) SLC6A2SLC6A4
SCHEMBL4087105 0.83 SLC6A4 (0.74) 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