SCHEMBL17834389

SCHEMBL17834389

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.39
▸ GCGR P47871 2/20 0.38
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ SUCNR1 Q9BXA5 5/20 0.36
▸ ADCY6 O43306 1/20 0.35
▸ ADCY3 O60266 1/20 0.35
▸ ADCY9 O60503 1/20 0.35
▸ ADCY5 O95622 1/20 0.35
▸ ADCY8 P40145 1/20 0.35
▸ ADCY7 P51828 1/20 0.35
▸ ADCY2 Q08462 1/20 0.35
▸ ADCY1 Q08828 1/20 0.35
▸ ADCY4 Q8NFM4 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ SLC6A5 Q9Y345 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ HRH2 P25021 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL17834436 0.92 RARB (0.42) RARBGCGRITGB3ITGA2BADCY6
SCHEMBL22384056 0.88 L3MBTL1 (0.41) RARBGCGRITGB3ITGA2BSUCNR1
SCHEMBL16305639 0.88 L3MBTL1 (0.41) RARBGCGRITGB3ITGA2BSUCNR1
SCHEMBL16306004 0.87 ESRRG (0.40) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16306026 0.87 CTSS (0.37) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL16294773 0.85 GCGR (0.48) RARBGCGRITGB3ITGA2BADCY6
SCHEMBL16294771 0.85 GCGR (0.48) RARBGCGRITGB3ITGA2BADCY6
SCHEMBL22384055 0.83 L3MBTL1 (0.42) GCGRITGB3ITGA2BADCY6ADCY3
SCHEMBL16305939 0.83 GCGR (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL22384306 0.81 RARB (0.46) RARBITGB3ITGA2BPLGKLKB1

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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