SCHEMBL8517073

SCHEMBL8517073

CC(COCCCCCC(=O)c1ccc(Cl)cc1)N1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
PLA2G7 Q13093 2/20 0.35
CCR2 P41597 4/20 0.34
BCHE P06276 1/20 0.34
DRD2 P14416 4/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL8378215 0.94 CXCR3 (0.35) MCHR1PLA2G7CCR2DRD2
SCHEMBL8591797 0.92 DRD2 (0.38) DRD2L3MBTL1HTR1AHTR2AHTR2C
SCHEMBL8374698 0.90 ALDH1A1 (0.36) BCHEMAPTGPBAR1
SCHEMBL8375951 0.87 BCHE (0.30) BCHE
SCHEMBL8517857 0.86 HTR1A (0.35) DRD2HTR1AHTR2AHTR2CHTR7
SCHEMBL8377618 0.84 S1PR5 (0.35) MCHR1PLA2G7CCR2DRD2HRH1
SCHEMBL8518068 0.82 HDAC3 (0.39) MCHR1CCR2DRD2
SCHEMBL8517128 0.81 MAPT (0.37) MAPTL3MBTL1HTR1AHTR7DRD3
SCHEMBL8518266 0.81 DRD2 (0.41) DRD2L3MBTL1HTR1AHTR2AHTR2C
SCHEMBL8377485 0.79 ALDH1A1 (0.36) MCHR1BCHEMAPTHRH1GPBAR1

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-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP claimed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO claimed
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed