SCHEMBL5728779

SCHEMBL5728779

Cc1cn(C(c2ccccc2)C(O)CO)c2c(F)cccc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.52
SLC6A4 P31645 16/20 0.52
SLC6A3 Q01959 2/20 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
SCHEMBL4077214 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL4091790 0.89 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL4081792 0.89 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4077210 0.88 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4077160 0.88 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL4081175 0.87 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3
SCHEMBL4076973 0.87 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4090036 0.86 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL4091349 0.85 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL4084074 0.80 SLC6A2 (0.78) 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