SCHEMBL8828540

SCHEMBL8828540

CCCCCN(CCCN(C)CCc1ccc(OC)c(OC)c1)C(=O)C/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.49
HTR2B P41595 17/20 0.49
HTR2C P28335 16/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1D P28221 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL8828324 0.90 HTR2A (0.48) HTR2AHTR2BHTR2CL3MBTL1ADRB1
SCHEMBL9046497 0.88 HTR2A (0.46) HTR2AHTR2BHTR2CL3MBTL1ADRB1
SCHEMBL9044808 0.86 HTR2A (0.49) HTR2AHTR2BHTR2CL3MBTL1ADRB1
SCHEMBL8828159 0.84 HTR2A (0.47) HTR2AHTR2BHTR2CL3MBTL1ADRB1
SCHEMBL8828397 0.83 L3MBTL1 (0.60) HTR2AHTR2BHTR2CL3MBTL1ADRB1
SCHEMBL8828400 0.78 CYP3A4 (0.47) HTR2AHTR2BHTR2C
SCHEMBL9045792 0.78 L3MBTL1 (0.53) HTR2AHTR2BHTR2CL3MBTL1OPRM1
SCHEMBL8828277 0.78 KDM4E (0.66) L3MBTL1DRD2DRD3
SCHEMBL14148791 0.75 L3MBTL1 (0.61) HTR2AHTR2BHTR2CL3MBTL1ADRB1
SCHEMBL29407319 0.75 L3MBTL1 (0.61) HTR2AHTR2BHTR2CL3MBTL1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed