SCHEMBL4453832

SCHEMBL4453832

CNC(CC1(O)CCCCC1)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 8/20 0.49
SLC6A2 P23975 6/20 0.49
LMNA P02545 1/20 0.49
CNR1 P21554 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TSHR P16473 1/20 0.39
CTSK P43235 1/20 0.39
AOC3 Q16853 1/20 0.38
GAA P10253 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL8028828 1.00 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8038699 1.00 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL902642 0.84 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2LMNA
SCHEMBL5379418 0.83 ALDH1A1 (0.48) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL6328367 0.80 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8038690 0.79 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3347205 0.79 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrochloric Acid SCHEMBL3930855 0.78 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8040630 0.77 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL2761798 0.77 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2LMNACNR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737473-A4 LITHIUM COMBINATIONS, AND USES RELATED THERETO NOVEN THERAPEUTICS LLC (US) 2009-08-26 EP disclosed
WO-2008060397-A2 METHOD OF TREATING THERMOREGULATORY DISFUNCTION NOVEN THERAPEUTICS, LLC (US) 2008-05-22 WO disclosed
EP-1893202-A2 MULTIMEDIATOR DOPAMINE TRANSPORT INHIBITORS, AND USES RELATED THERETO PREXA PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
EP-1879574-A2 MULTIMEDIATOR 5-HT6 RECEPTOR ANTAGONISTS, AND USES RELATED THERETO PREXA PHARMACEUTICALS, INC. (US) 2008-01-23 EP disclosed
EP-1737473-A2 LITHIUM COMBINATIONS, AND USES RELATED THERETO Satow, Philip, Maxwell (US) 2007-01-03 EP disclosed
WO-2006091702-A2 MULTIMEDIATOR DOPAMINE TRANSPORT INHIBITORS, AND USES RELATED THERETO PSYCHENOMICS, INC. (US) 2006-08-31 WO disclosed
WO-2006091703-A2 MULTIMEDIATOR 5-HT6 RECEPTOR ANTAGONISTS, AND USES RELATED THERETO PSYCHENOMICS, INC. (US) 2006-08-31 WO disclosed
WO-2005102366-A2 LITHIUM COMBINATIONS, AND USES RELATED THERETO SATOW PHILIP MAXWELL (US) 2005-11-03 WO disclosed
EP-1165487-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2002-01-02 EP disclosed
EP-1135359-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2001-09-26 EP disclosed
EP-1135358-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2001-09-26 EP disclosed
WO-2000076956-A2 ENANTIOMERS OF N-DESMETHYL VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-21 WO disclosed
WO-2000059851-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-10-12 WO disclosed
WO-2000032556-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 WO disclosed
WO-2000032555-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 WO disclosed