SCHEMBL8551063

SCHEMBL8551063

O=C1CC(SCc2ccccc2)N1CCOCCCCCCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SLC6A2 P23975 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 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
SCHEMBL8552167 0.94 HRH3 (0.42) SIGMAR1HRH3
SCHEMBL8552527 0.90 HRH3 (0.41) SLC6A4SLC6A3SLC6A2KCNH2SIGMAR1
SCHEMBL8553484 0.89 HRH3 (0.47) HTR2AMEN1KMT2ASIGMAR1HRH3
SCHEMBL8442979 0.82 GSK3A (0.46) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8440233 0.81 FAAH (0.44) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8438564 0.80 GSK3A (0.43) MEN1MAPK1KMT2ASMN1; SMN2MAPT
SCHEMBL8552347 0.79 LTA4H (0.41) MEN1ALDH1A1LMNAKMT2AMAPT
SCHEMBL8553197 0.79 HTR2A (0.40) HTR2ACYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8772441 0.78 GSK3A (0.40) CYP1A2CYP3A4CYP2D6MEN1ALDH1A1
SCHEMBL8772537 0.78 POLB (0.40) ALDH1A1LMNATDP1SIGMAR1

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