SCHEMBL5728552

SCHEMBL5728552

CNCCC(c1cccc(F)c1)n1ccc2ccc(OC)cc21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.72
SLC6A4 P31645 17/20 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
SCHEMBL2074297 0.88 SLC6A2 (0.69) SLC6A2SLC6A4
SCHEMBL6047909 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4081351 0.79 SLC6A2 (0.80) SLC6A2SLC6A4
SCHEMBL4087229 0.79 SLC6A2 (0.80) SLC6A2SLC6A4
SCHEMBL2071888 0.79 SLC6A2 (0.69) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4089053 0.78 SLC6A2 (0.79) SLC6A2SLC6A4
SCHEMBL4091758 0.75 SLC6A2 (0.62) SLC6A2SLC6A4
SCHEMBL2073496 0.75 SLC6A2 (0.70) SLC6A2SLC6A4
SCHEMBL2075091 0.75 SLC6A2 (0.70) SLC6A2SLC6A4
SCHEMBL5729578 0.74 SLC6A2 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732887-A1 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 (US) 2006-12-20 EP claimed
WO-2005097744-A1 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 (US) 2005-10-20 WO claimed