SCHEMBL8552167

SCHEMBL8552167

O=C1CC(SCc2ccccc2)N1CCOCCCCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
DRD2 P14416 7/20 0.40
DRD3 P35462 7/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL8553484 0.95 HRH3 (0.47) HRH3DRD2DRD3SIGMAR1
SCHEMBL8552527 0.94 HRH3 (0.41) HRH3DRD2DRD3SIGMAR1
SCHEMBL8551063 0.94 HTR2A (0.41) HRH3SIGMAR1
SCHEMBL8442979 0.88 GSK3A (0.46) SIGMAR1
SCHEMBL8440233 0.86 FAAH (0.44) SIGMAR1
SCHEMBL8438564 0.85 GSK3A (0.43) SIGMAR1
SCHEMBL8552347 0.84 LTA4H (0.41)
SCHEMBL8443375 0.82 GAA (0.44) HRH3
SCHEMBL8772537 0.81 POLB (0.40) SIGMAR1
SCHEMBL8439553 0.78 NAAA (0.39)

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