SCHEMBL6469709

SCHEMBL6469709

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

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.65
MTNR1A P48039 10/20 0.42
MTNR1B P49286 5/20 0.42
NQO2 P16083 1/20 0.40
ACACA Q13085 4/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL9239113 0.90 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL9236434 0.90 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL7779969 0.90 ACACB (0.78) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL4950105 0.88 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL4382039 0.88 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL4382041 0.88 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL649088 0.88 ACACB (0.62) ACACBMTNR1AMTNR1BNQO2
SCHEMBL649089 0.88 ACACB (0.62) ACACBMTNR1AMTNR1BNQO2
SCHEMBL648433 0.87 ACACB (0.61) ACACBMTNR1AMTNR1BNQO2ACACA
SCHEMBL648434 0.87 ACACB (0.61) ACACBMTNR1AMTNR1BNQO2ACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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