SCHEMBL6671971

SCHEMBL6671971

COC(=O)C(CN(C)C)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.50
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 8/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL6667892 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10GAASLC6A2SLC6A4
SCHEMBL2685869 0.83 L3MBTL1 (0.46) ALDH1A1HSD17B10GAAMEN1CYP2D6
SCHEMBL17877688 0.83 L3MBTL1 (0.46) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL27146207 0.81 AKR1C3 (0.54) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL25241435 0.81 GPR88 (0.51) MEN1HTTKMT2AAOC3ESR1
SCHEMBL1069341 0.81 LTA4H (0.53)
SCHEMBL28177712 0.80 ESR1 (0.49) MEN1KMT2AAOC3ESR1ESR2
SCHEMBL19986352 0.79 SLC6A3 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6AOC3
SCHEMBL6390486 0.79 L3MBTL1 (0.48) ALDH1A1GAAMEN1HTTKMT2A
SCHEMBL8585874 0.79 FFAR1 (0.52) GAAHTTKMT2ALMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213279-B1 VENLAFAXINE PRODUCTION PROCESS MEDICHEM SA (ES) 2004-09-15 EP disclosed
US-6506941-B1 Venlafaxine production process MEDICHEM, S.A. (ES) 2003-01-14 US disclosed
EP-1213279-A1 VENLAFAXINE PRODUCTION PROCESS Medichem S.A. (ES) 2002-06-12 EP disclosed