SCHEMBL8036558

SCHEMBL8036558

CNCCC1Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
SLC6A2 P23975 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
CA2 P00918 2/20 0.38
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
AOC2 O75106 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 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
SCHEMBL8026173 0.84 HRH3 (0.42) HRH3HTR1AHTR1DGPBAR1CA2
SCHEMBL1485141 0.83 HRH3 (0.49) HRH3HTR2AHRH1HTR1AHTR1D
SCHEMBL1485140 0.83 HRH3 (0.49) HRH3HTR2AHRH1HTR1AHTR1D
SCHEMBL13638405 0.81 HRH3 (0.47) HRH3HTR2AHTR1AHTR1DGPBAR1
SCHEMBL10366459 0.78 HRH3 (0.44) HRH3HTR1AHTR1DPOLBESR2
SCHEMBL8036527 0.78 HTR2A (0.41) HTR2AHRH1SIGMAR1L3MBTL4L3MBTL1
SCHEMBL8035976 0.77 HRH3 (0.47) HRH3HTR2AHRH1HTR1AHTR1D
SCHEMBL8026169 0.77 HRH3 (0.47) HRH3HTR2AHRH1HTR1AHTR1D
SCHEMBL17193871 0.77 HRH3 (0.47) HRH3SIGMAR1HTR1AHTR1DCA2
SCHEMBL11535632 0.77 HRH3 (0.47) HRH3SIGMAR1AOC2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO claimed
WO-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed