SCHEMBL14302913

SCHEMBL14302913

Bc1ccc2c(c1)C(C)(C)C(=O)N2[C@@H](c1ccccc1)[C@H](O)CNC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.47
SLC6A4 P31645 14/20 0.47
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL4087340 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL13889076 0.87 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4079904 0.87 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4077259 0.87 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4084031 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL4079899 0.87 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4084035 0.87 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL4087390 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4081779 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4081783 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3

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