SCHEMBL3845663

SCHEMBL3845663

COC(=O)N1CCC(C(C)Oc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.53
MMP1 P03956 3/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 3/20 0.48
MMP2 P08253 2/20 0.48
GPR183 P32249 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL387399 0.92 GPR119 (0.60) GPR119MMP1MMP3MMP7MMP9
SCHEMBL388696 0.92 GPR119 (0.60) GPR119MMP1MMP3MMP7MMP9
SCHEMBL387326 0.86 GPR119 (0.47) GPR119MMP1MMP3MMP7MMP9
SCHEMBL386769 0.83 GPR119 (0.56) GPR119MMP1MMP3MMP7MMP9
SCHEMBL387411 0.83 GPR119 (0.56) GPR119MMP1MMP3MMP7MMP9
SCHEMBL388367 0.83 GPR119 (0.56) GPR119MMP1MMP3MMP7MMP9
SCHEMBL387949 0.80 GPR119 (0.46) GPR119MMP1MMP3MMP7MMP9
SCHEMBL388629 0.80 GPR119 (0.51) GPR119GPR183
SCHEMBL385351 0.80 GPR119 (0.51) GPR119GPR183
SCHEMBL388679 0.80 GPR119 (0.51) GPR119GPR183

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