SCHEMBL8192039

SCHEMBL8192039

OCC1COc2cccc(OCc3ccccc3)c2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.46
ADRA1D P25100 5/20 0.42
ADRA1A P35348 5/20 0.42
ADRA1B P35368 5/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
HPGD P15428 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8976461 0.90 ADRA1D (0.42) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL567883 0.80 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL7464563 0.80 ADRA1D (0.58) HTR1AADRA1DADRA1AADRA1BHPGD
SCHEMBL7464571 0.80 ADRA1D (0.58) HTR1AADRA1DADRA1AADRA1BHPGD
SCHEMBL6628867 0.79 DRD2 (0.34) HTR1ATDP1L3MBTL1POLBHPGD
SCHEMBL6628639 0.79 DRD2 (0.34) HTR1ATDP1L3MBTL1POLBHPGD
SCHEMBL14364261 0.75 ADRA2A (0.52) HTR1AADRA1DADRA1AADRA1BHPGD
SCHEMBL11879674 0.75 KDM1A (0.41) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL10522223 0.75 MAOB (0.53) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL21198165 0.74 MAOB (0.60) HPGDFFAR1

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
WO-2000058301-A1 N-[2-(4-AMINOPHYL)ETHYL]-2,3-DIHYDRO-1,4-BENZODIOXINE-2-METHANAMINE, PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed