SCHEMBL5497655

SCHEMBL5497655

COc1ccc2c(C3COC(CCCNC=O)OC3)cccc2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.58
MTNR1A P48039 5/20 0.38
MTNR1B P49286 4/20 0.38
NQO2 P16083 1/20 0.38
SLC2A1 P11166 2/20 0.36
CYP2D6 P10635 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7780947 0.88 ACACB (0.58) ACACBMTNR1AMTNR1BNQO2SLC2A1
Hydrochloric Acid SCHEMBL8418541 0.87 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2SIGMAR1
SCHEMBL7775681 0.85 ACACB (0.60) ACACBMTNR1AMTNR1BNQO2SLC2A1
SCHEMBL7779969 0.85 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2
SCHEMBL9236434 0.85 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4950105 0.85 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4382039 0.85 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4382041 0.85 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL9239113 0.85 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2
SCHEMBL7780014 0.85 ACACB (0.59) ACACBMTNR1AMTNR1BNQO2SLC2A1

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-1840125-A2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics sanofi-aventis (FR) 2007-10-03 EP disclosed
EP-1537096-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-06-08 EP disclosed
WO-2004020430-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-03-11 WO disclosed