SCHEMBL16306004

SCHEMBL16306004

C=C(CCNC(=C)[C@H](Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 3/20 0.40
▸ ESRRB O95718 1/20 0.40
▸ GCGR P47871 3/20 0.39
▸ ADCY6 O43306 2/20 0.39
▸ ADCY3 O60266 2/20 0.39
▸ ADCY9 O60503 2/20 0.39
▸ ADCY5 O95622 2/20 0.39
▸ ADCY8 P40145 2/20 0.39
▸ ADCY7 P51828 2/20 0.39
▸ ADCY2 Q08462 2/20 0.39
▸ ADCY1 Q08828 2/20 0.39
▸ ADCY4 Q8NFM4 2/20 0.39
▸ LHCGR P22888 1/20 0.39
▸ KIFC1 Q9BW19 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.35
▸ GRIA1 P42261 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
SCHEMBL17834389 0.87 RARB (0.39) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16305638 0.86 L3MBTL1 (0.46) ESRRGESRRBGCGRADCY6ADCY3
SCHEMBL16306026 0.86 CTSS (0.37) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16294595 0.82 GCGR (0.53) ESRRGESRRBGCGRADCY6ADCY3
SCHEMBL16294330 0.82 GCGR (0.53) ESRRGESRRBGCGRADCY6ADCY3
SCHEMBL17834444 0.81 ESRRG (0.35) ESRRGESRRBGCGRADCY6ADCY3
SCHEMBL15037181 0.81 CA1 (0.53) ESRRGESRRBLHCGRL3MBTL1CTSL
SCHEMBL16306015 0.80 TDP1 (0.42) ESRRGLHCGRKIFC1L3MBTL1CTSS
SCHEMBL22384129 0.80 TDP1 (0.42) ESRRGLHCGRKIFC1L3MBTL1CTSS
SCHEMBL17834436 0.79 RARB (0.42) 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 2 patents. 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
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — WO disclosed
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