SCHEMBL2654352

SCHEMBL2654352

COC(=O)C(O)CNC(=O)c1ccc(CCC(C)(C)COc2cc(C)c(-c3ccc(C(C)(C)C)cc3)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.44
ESRRG P62508 7/20 0.41
NR1H4 Q96RI1 6/20 0.39
EPHX2 P34913 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESRRB O95718 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2654950 0.92 GCGR (0.46) GCGRESRRGNR1H4EPHX2NPC1
SCHEMBL2654628 0.85 GCGR (0.43) GCGR
SCHEMBL2654812 0.84 GCGR (0.51) GCGRESRRGNR1H4EPHX2NPC1
SCHEMBL2653226 0.84 GCGR (0.41) GCGRNPC1RAB9AMEN1KMT2A
SCHEMBL2655611 0.83 GCGR (0.60) GCGRESRRGNR1H4EPHX2NPC1
SCHEMBL2655395 0.79 GCGR (0.41) GCGRMEN1KMT2ALMNAMAPT
SCHEMBL2655103 0.78 GCGR (0.47) GCGRESRRGNPC1RAB9AMEN1
SCHEMBL1765422 0.77 GCGR (0.57) GCGRNR1H4EPHX2NPC1RAB9A
SCHEMBL2653229 0.77 GCGR (0.47) GCGRESRRGNPC1RAB9AMEN1
SCHEMBL2653584 0.77 GCGR (0.56) GCGR

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