SCHEMBL2654473

SCHEMBL2654473

Cc1cc(SCC(C)CCc2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.54
NR1H4 Q96RI1 2/20 0.46
EPHX2 P34913 1/20 0.46
ESRRG P62508 5/20 0.46
ADCY6 O43306 3/20 0.45
ADCY3 O60266 3/20 0.45
ADCY9 O60503 3/20 0.45
ADCY5 O95622 3/20 0.45
ADCY8 P40145 3/20 0.45
ADCY7 P51828 3/20 0.45
ADCY2 Q08462 3/20 0.45
ADCY1 Q08828 3/20 0.45
ADCY4 Q8NFM4 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ESRRB O95718 1/20 0.43
GCG P01275 1/20 0.42
GIPR P48546 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
SCHEMBL2654856 0.92 GCGR (0.49) GCGRGCGGIPR
SCHEMBL2654683 0.85 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653257 0.84 GCG (0.42) GCGRNR1H4EPHX2ESRRGNPC1
SCHEMBL2655617 0.84 GCGR (0.61) GCGRNR1H4EPHX2ESRRGADCY6
SCHEMBL2655157 0.83 GCGR (0.60) GCGRNR1H4EPHX2ESRRGADCY6
SCHEMBL2657987 0.83 NR1H4 (0.59) GCGRNR1H4EPHX2ESRRGADCY6
SCHEMBL2655487 0.82 GCG (0.60) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654684 0.81 GCGR (0.47) GCGREPHX2ADCY6ADCY3ADCY9
SCHEMBL2657436 0.81 GCGR (0.54) GCGRGIPR
SCHEMBL2654712 0.79 GCG (0.47) GCGRNR1H4EPHX2ADCY6ADCY3

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 4 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 claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
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