SCHEMBL8772495

SCHEMBL8772495

O=C1CC([S+]([O-])Cc2ccccc2)N1CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
OPRM1 P35372 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8772475 0.96 FAAH (0.42) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8439618 0.95 GSK3A (0.43) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8772523 0.92 HCRTR1 (0.43) GSK3AGSK3BGAAHTTMAPK1
SCHEMBL8619484 0.88 GSK3B (0.39) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8772402 0.88 HTR2A (0.43) GSK3AGSK3BSIGMAR1HTR2AGAA
SCHEMBL8772398 0.88 GSK3A (0.39) GSK3AGSK3BSIGMAR1HTTSMN1; SMN2
SCHEMBL8555803 0.87 HRH3 (0.41) SIGMAR1
SCHEMBL8553771 0.85 TMEM97 (0.44) SIGMAR1HTR2ASMN1; SMN2MEN1MAPT
SCHEMBL27499799 0.85 TEAD3 (0.40) GAAMEN1KMT2A
SCHEMBL8553197 0.81 HTR2A (0.40) SIGMAR1HTR2AKCNH2OPRM1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed