SCHEMBL9754673

SCHEMBL9754673

C=CCOC(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1COS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
CHRM1 P11229 1/20 0.35
MGLL Q99685 1/20 0.35
ELANE P08246 2/20 0.34
F2 P00734 1/20 0.34
CTSG P08311 1/20 0.34
CYP19A1 P11511 1/20 0.34
HCRTR2 O43614 4/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PLA2G4A P47712 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
PLA2G6 O60733 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ECE1 P42892 1/20 0.30

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
SCHEMBL7859632 1.00 FAAH (0.36) FAAHCHRM1MGLLELANEF2
SCHEMBL8834472 0.93 FAAH (0.35) FAAHCHRM1MGLLELANEF2
SCHEMBL9020169 0.86 CHRM1 (0.38) FAAHCHRM1MGLLELANEF2
SCHEMBL9596161 0.85 FAAH (0.36) FAAHCHRM1MGLLELANEF2
SCHEMBL9567073 0.85 FAAH (0.36) FAAHCHRM1MGLLELANEF2
SCHEMBL9567072 0.85 FAAH (0.36) FAAHCHRM1MGLLELANEF2
SCHEMBL9596152 0.85 FAAH (0.36) FAAHCHRM1MGLLELANEF2
SCHEMBL9754678 0.85 CHRM1 (0.37) FAAHCHRM1MGLLELANEF2
SCHEMBL9215878 0.85 CHRM1 (0.37) FAAHCHRM1MGLLELANEF2
SCHEMBL8098583 0.85 CHRM1 (0.37) FAAHCHRM1MGLLELANEF2

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
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed