SCHEMBL2665016

SCHEMBL2665016

O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3ccc(Cl)c(Cl)c3s2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.45
ADCY6 O43306 6/20 0.44
ADCY3 O60266 6/20 0.44
ADCY9 O60503 6/20 0.44
ADCY5 O95622 6/20 0.44
ADCY8 P40145 6/20 0.44
ADCY7 P51828 6/20 0.44
ADCY2 Q08462 6/20 0.44
ADCY1 Q08828 6/20 0.44
ADCY4 Q8NFM4 6/20 0.44
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
GIPR P48546 3/20 0.37
GCK P35557 1/20 0.36

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
SCHEMBL2664969 0.89 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2650616 0.86 GCGR (0.39) GCGRGIPR
SCHEMBL2665011 0.85 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2664971 0.84 GCGR (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665009 0.84 GCGR (0.43) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665168 0.83 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2665247 0.83 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9071452 0.83 GCGR (0.53) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2650613 0.82 GCGR (0.60) GCGRGIPR
SCHEMBL9071422 0.82 GCGR (0.45) GCGRADCY6ADCY3ADCY9ADCY5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed