SCHEMBL4382041

SCHEMBL4382041

COc1ccc2c(cccc2[C@H]2CO[C@H](CCCNC(=O)O)OC2)c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.67
MTNR1A P48039 10/20 0.43
MTNR1B P49286 7/20 0.43
NQO2 P16083 1/20 0.43
ACACA Q13085 4/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 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
SCHEMBL4382039 1.00 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL4950105 1.00 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL4946839 0.94 ACACB (0.59) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4946842 0.94 ACACB (0.59) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4950545 0.92 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL9239113 0.92 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL9236434 0.92 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL4950551 0.92 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL7779969 0.92 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL649089 0.90 ACACB (0.62) ACACBMTNR1AMTNR1BNQO2

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 8 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-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-06-08 EP claimed
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 claimed
EP-1840125-B1 Intermediates for the preparation of dioxane-2-alkyl carbamates SANOFI AVENTIS (FR) 2009-06-24 EP disclosed
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
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