SCHEMBL17834544

SCHEMBL17834544

C=C(N[C@@H](Cc1ccc(-c2ncc(-c3ccc(OCCC)cc3)cn2)cc1)C(=O)NCCC(=O)O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 14/20 0.46
▸ ADCY6 O43306 5/20 0.45
▸ ADCY3 O60266 5/20 0.45
▸ ADCY9 O60503 5/20 0.45
▸ ADCY5 O95622 5/20 0.45
▸ ADCY8 P40145 5/20 0.45
▸ ADCY7 P51828 5/20 0.45
▸ ADCY2 Q08462 5/20 0.45
▸ ADCY1 Q08828 5/20 0.45
▸ ADCY4 Q8NFM4 5/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KLKB1 P03952 1/20 0.41
▸ GCG P01275 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ LMNA P02545 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
SCHEMBL16305538 0.93 L3MBTL1 (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16306150 0.90 GCGR (0.54) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL17995158 0.89 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16305819 0.88 GCGR (0.53) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16305825 0.88 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16380079 0.88 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16305921 0.88 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL15019653 0.88 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL15019651 0.88 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16305923 0.86 GCGR (0.51) 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-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
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