SCHEMBL3844800

SCHEMBL3844800

CC(C)COC(=O)N1CCC(COc2ccc(Br)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
GRIN2B Q13224 1/20 0.43
LIPE Q05469 1/20 0.41
GPR119 Q8TDV5 8/20 0.41
ACACB O00763 4/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SCN9A Q15858 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL865849 0.87 GPR119 (0.52) GPR119
SCHEMBL3840018 0.85 GRIN2B (0.50) HRH3GRIN2BGPR119ACACBTLR9
SCHEMBL3841477 0.84 GPR119 (0.54) GPR119
SCHEMBL387056 0.82 GPR119 (0.49) GPR119
SCHEMBL24493183 0.82 GRIN2B (0.55) GRIN2B
SCHEMBL30578289 0.82 GRIN2B (0.55) GRIN2B
SCHEMBL3988752 0.81 LIPE (0.44) HRH3LIPEGPR119ACACB
SCHEMBL2881159 0.81 GPR119 (0.47) HRH3GRIN2BGPR119
SCHEMBL2883378 0.81 GPR119 (0.56) GPR119
SCHEMBL3841482 0.80 GPR119 (0.51) GPR119

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-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed