SCHEMBL2653686

SCHEMBL2653686

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)cc2)ccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCG P01275 3/20 0.47
GCGR P47871 15/20 0.46
ADCY6 O43306 4/20 0.46
ADCY3 O60266 4/20 0.46
ADCY9 O60503 4/20 0.46
ADCY5 O95622 4/20 0.46
ADCY8 P40145 4/20 0.46
ADCY7 P51828 4/20 0.46
ADCY2 Q08462 4/20 0.46
ADCY1 Q08828 4/20 0.46
ADCY4 Q8NFM4 4/20 0.46
GIPR P48546 4/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2655131 0.91 GCG (0.44) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2654059 0.90 GCGR (0.50) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2654108 0.89 GCGR (0.52) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2653536 0.89 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2656949 0.85 NPC1 (0.48) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2655241 0.83 GCG (0.45) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2654806 0.82 GCGR (0.49) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL1765641 0.82 GCGR (0.52) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2654789 0.82 GCG (0.44) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL2654679 0.82 PPARD (0.42) GCGRGIPR

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed