SCHEMBL4718538

SCHEMBL4718538

OCC(O)C(c1ccccc1)N1CCc2cccc(F)c21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.49
SLC6A4 P31645 16/20 0.49
SLC6A3 Q01959 4/20 0.46
PRMT5 O14744 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4715591 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3PRMT5MEN1
SCHEMBL4718232 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3PRMT5ALDH1A1
SCHEMBL4720450 0.85 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL5475823 0.85 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL4077127 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4717577 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL5484366 0.84 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
SCHEMBL4718307 0.81 SLC6A2 (0.46) SLC6A2SLC6A4PRMT5MEN1KMT2A
SCHEMBL4090139 0.81 SLC6A2 (0.71) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4715366 0.78 SLC6A2 (0.44) SLC6A2SLC6A4PRMT5

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-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed