SCHEMBL2881159

SCHEMBL2881159

CC(C)COC(=O)N1CCC(COc2cnc(-c3ccc(Br)cc3)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
GRIN2B Q13224 1/20 0.40

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
SCHEMBL2881337 0.87 GPR119 (0.56) GPR119
SCHEMBL3841477 0.84 GPR119 (0.54) GPR119CYP4F2CYP4A11
SCHEMBL387199 0.84 GPR119 (0.59) GPR119
SCHEMBL3841482 0.83 GPR119 (0.51) GPR119CYP4F2CYP4A11
SCHEMBL3844800 0.81 HRH3 (0.44) GPR119HRH3GRIN2B
SCHEMBL3840018 0.80 GRIN2B (0.50) GPR119HRH3GRIN2B
SCHEMBL3839998 0.79 GPR119 (0.51) GPR119CYP4F2CYP4A11
SCHEMBL2880903 0.78 GPR119 (0.49) GPR119CYP4F2CYP4A11
SCHEMBL2881232 0.76 GPR119 (0.61) GPR119CYP4F2CYP4A11
SCHEMBL2876156 0.76 GPR119 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010512334-A 2010-04-22 JP claimed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP claimed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed
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