SCHEMBL8552527

SCHEMBL8552527

O=C1CC(SCc2ccccc2)N1CCOCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
SLC6A2 P23975 2/20 0.41
HRH1 P35367 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 6/20 0.37
DRD3 P35462 6/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
POLB P06746 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
SCHEMBL8552167 0.94 HRH3 (0.42) HRH3SIGMAR1DRD2DRD3
SCHEMBL8551063 0.90 HTR2A (0.41) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8772537 0.89 POLB (0.40) SIGMAR1POLB
SCHEMBL8553484 0.89 HRH3 (0.47) HRH3HTR2CSIGMAR1DRD2DRD3
SCHEMBL8442979 0.82 GSK3A (0.46) SIGMAR1
SCHEMBL8440233 0.81 FAAH (0.44) SIGMAR1
SCHEMBL8438564 0.80 GSK3A (0.43) SIGMAR1
SCHEMBL8552347 0.79 LTA4H (0.41)
SCHEMBL8549722 0.79 HRH3 (0.41) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL8772441 0.78 GSK3A (0.40) SIGMAR1

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
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed