SCHEMBL1698265

SCHEMBL1698265

CCOc1ccccc1OC1OC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 6/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRB2 P07550 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR2C P28335 1/20 0.41
HCRTR1 O43613 2/20 0.40

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
SCHEMBL7282091 0.84 CYP1A2 (0.50) ALDH1A1L3MBTL1MAPTNPSR1CYP1A2
SCHEMBL8693129 0.81 MAPT (0.51) L3MBTL1MAPTTDP1HTR2BHTR1A
SCHEMBL9538824 0.80 MAPT (0.41) MAPTHTR2AHTR2BHTR1AHTR2C
SCHEMBL93243 0.79 CA1 (0.54) ALDH1A1L3MBTL1CYP1A2TDP1SLC6A2
1,2-Diethoxybenzene SCHEMBL578986 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL29428929 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL4607067 0.76 HTR2C (0.53) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL28693925 0.75 LMNA (0.33) ALDH1A1CYP1A2ADRB2KDM4EALOX15
SCHEMBL7806133 0.73 SLC6A4 (0.42) L3MBTL1MAPTCYP2D6TDP1SLC6A2
SCHEMBL28355135 0.73 HRH1 (0.47) ALDH1A1L3MBTL1TDP1ADRB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558437-A2 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF Supernus Pharmaceuticals, Inc. (US) 2013-02-20 EP claimed
WO-2011130194-A2 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF SUPERNUS PHARMACEUTICALS INC. (US) 2011-10-20 WO claimed
EP-2558437-A2 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF Supernus Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
WO-2011130194-A2 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF SUPERNUS PHARMACEUTICALS INC. (US) 2011-10-20 WO disclosed