SCHEMBL3840647

SCHEMBL3840647

CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(=O)(=O)NCC(NC(=O)O)C(C)(C)C)cc4)cc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.58
GPR183 P32249 1/20 0.57
MMP13 P45452 2/20 0.37
ACACB O00763 1/20 0.35
KCNH2 Q12809 1/20 0.35
ADAMTS4 O75173 1/20 0.35
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL2883402 0.86 GPR119 (0.63) GPR119GPR183KCNH2
SCHEMBL387207 0.84 GPR119 (0.66) GPR119GPR183KCNH2
SCHEMBL387122 0.83 GPR119 (0.57) GPR119GPR183MMP13KCNH2
SCHEMBL10246524 0.83 GPR119 (0.58) GPR119GPR183MMP13ACACB
Trifluoroacetic Acid SCHEMBL387344 0.83 GPR119 (0.58) GPR119GPR183KCNH2
SCHEMBL870759 0.82 GPR119 (0.66) GPR119GPR183KCNH2
SCHEMBL387533 0.82 GPR119 (0.65) GPR119GPR183KCNH2
Trifluoroacetic Acid SCHEMBL388814 0.81 GPR119 (0.57) GPR119GPR183KCNH2
SCHEMBL869831 0.81 GPR119 (0.64) GPR119GPR183KCNH2
Trifluoroacetic Acid SCHEMBL388420 0.81 GPR119 (0.56) GPR119GPR183KCNH2

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