SCHEMBL8553484

SCHEMBL8553484

O=C1CC(SCc2ccccc2)N1CCOCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
DRD3 P35462 2/20 0.37
USP2 O75604 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 0.95 HRH3 (0.42) HRH3DRD2SIGMAR1DRD3
SCHEMBL8552527 0.89 HRH3 (0.41) HRH3DRD2SIGMAR1HTR2CDRD3
SCHEMBL8551063 0.89 HTR2A (0.41) HRH3MEN1KMT2ASIGMAR1HTR2A
SCHEMBL8438564 0.87 GSK3A (0.43) MEN1KMT2ASIGMAR1USP2
SCHEMBL8552347 0.86 LTA4H (0.41) MEN1KMT2A
SCHEMBL8440233 0.86 FAAH (0.44) MEN1KMT2ASIGMAR1
SCHEMBL8442979 0.85 GSK3A (0.46) MEN1KMT2ASIGMAR1
SCHEMBL8443375 0.84 GAA (0.44) HRH3MEN1KMT2AUSP2
SCHEMBL8556122 0.82 USP2 (0.42) MEN1KMT2AUSP2
SCHEMBL8772537 0.79 POLB (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed