SCHEMBL4376978

SCHEMBL4376978

O=C(O)NCCC[C@H]1OC[C@H](c2cccc3cc(OCC4CC4)ccc32)CO1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.63
ACACA Q13085 4/20 0.50
MTNR1A P48039 2/20 0.42
GPR35 Q9HC97 1/20 0.38
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
AVPR1B P47901 1/20 0.34
MTNR1B P49286 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
SCHEMBL4376973 1.00 ACACB (0.63) ACACBACACAMTNR1AGPR35PARP15
SCHEMBL9235486 0.92 ACACB (0.75) ACACBACACAMTNR1AMTNR1B
SCHEMBL8109293 0.92 ACACB (0.75) ACACBACACAMTNR1AMTNR1B
SCHEMBL8116644 0.88 ACACB (0.58) ACACBACACAMTNR1APARP15PARP10
SCHEMBL647889 0.87 ACACB (0.57) ACACBACACAMTNR1AGPR35PARP15
SCHEMBL649138 0.87 ACACB (0.57) ACACBACACAMTNR1AGPR35
SCHEMBL649137 0.87 ACACB (0.57) ACACBACACAMTNR1AGPR35
SCHEMBL647888 0.87 ACACB (0.57) ACACBACACAMTNR1AGPR35PARP15
SCHEMBL4952795 0.87 ACACB (0.61) ACACBACACA
SCHEMBL4952800 0.87 ACACB (0.61) ACACBACACA

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 6 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-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