SCHEMBL4946839

SCHEMBL4946839

COc1ccc2c(C3COC(CCNC(=O)O)OC3)cccc2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.59
MTNR1A P48039 14/20 0.45
MTNR1B P49286 9/20 0.45
NQO2 P16083 2/20 0.45
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IDH1 O75874 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
SCHEMBL4946842 1.00 ACACB (0.59) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4950105 0.94 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4382039 0.94 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4382041 0.94 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL9352698 0.90 ACACB (0.54) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL7779969 0.86 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL9236434 0.86 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4950545 0.86 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4950551 0.86 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL9239113 0.86 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2HTR2C

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-1537096-B1 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2008-09-24 EP claimed
EP-1537096-B1 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2008-09-24 EP disclosed
EP-1840125-A2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics sanofi-aventis (FR) 2007-10-03 EP disclosed