SCHEMBL5728906

SCHEMBL5728906

CC(C)(C)n1c(=O)n(C(c2ccccc2)[C@H](O)CO)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.77
SLC6A4 P31645 5/20 0.35

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
SCHEMBL4083801 1.00 SLC6A2 (0.77) SLC6A2SLC6A4
SCHEMBL4082351 0.87 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4079912 0.87 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4079917 0.87 SLC6A2 (1.00) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4081277 0.86 SLC6A2 (0.98) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4081335 0.86 SLC6A2 (0.98) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4081329 0.86 SLC6A2 (0.98) SLC6A2SLC6A4
SCHEMBL4085215 0.83 SLC6A2 (0.74) SLC6A2SLC6A4
SCHEMBL4086938 0.83 SLC6A2 (0.74) SLC6A2
SCHEMBL5728748 0.81 SLC6A2 (0.75) 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 disclosed
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 disclosed