SCHEMBL8440233

SCHEMBL8440233

O=C1CC(SCc2ccccc2)N1CCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
SIGMAR1 Q99720 7/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR3 P51677 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL8442979 0.99 GSK3A (0.46) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8438564 0.96 GSK3A (0.43) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8772441 0.92 GSK3A (0.40) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8772537 0.92 POLB (0.40) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8443375 0.90 GAA (0.44) MGLLGSK3AGSK3BL3MBTL1MEN1
SCHEMBL8552167 0.86 HRH3 (0.42) SIGMAR1
SCHEMBL8553484 0.86 HRH3 (0.47) SIGMAR1MEN1KMT2A
SCHEMBL8110096 0.84 SIGMAR1 (0.48) FAAHMGLLSIGMAR1GSK3AGSK3B
SCHEMBL8438972 0.81 MAPT (0.43) FAAH
SCHEMBL8552527 0.81 HRH3 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed