SCHEMBL8518266

SCHEMBL8518266

CC(OCCCCCC(=O)c1ccc(F)cc1)N1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD4 P21917 3/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8378710 0.94 DRD3 (0.38) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL8591797 0.90 DRD2 (0.38) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL8375935 0.89 MAPT (0.38) DRD3HTR1AMEN1CHRM2ADRA2A
SCHEMBL8377056 0.86 MEN1 (0.34) DRD3HTR1AMEN1CHRM2ADRA2A
SCHEMBL8377618 0.85 S1PR5 (0.35) DRD2ADRA1AHRH1
SCHEMBL8517515 0.84 CCR3 (0.40) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL8517857 0.84 HTR1A (0.35) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL8517073 0.81 MCHR1 (0.37) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8377485 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HRH1KDM4E
SCHEMBL8517128 0.80 MAPT (0.37) DRD3HTR1AMEN1CHRM2ADRA2A

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