SCHEMBL2654950

SCHEMBL2654950

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)NCC(O)C(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.46
GIPR P48546 2/20 0.43
ESRRG P62508 5/20 0.41
NR1H4 Q96RI1 7/20 0.40
EPHX2 P34913 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ESRRB O95718 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2654628 0.93 GCGR (0.43) GCGRGIPR
SCHEMBL2654352 0.92 GCGR (0.44) GCGRESRRGNR1H4EPHX2NPC1
SCHEMBL2653226 0.91 GCGR (0.41) GCGRGIPRNPC1RAB9AMEN1
SCHEMBL2655611 0.86 GCGR (0.60) GCGRGIPRESRRGNR1H4EPHX2
SCHEMBL2654812 0.83 GCGR (0.51) GCGRESRRGNR1H4EPHX2NPC1
SCHEMBL2653584 0.79 GCGR (0.56) GCGRGIPR
SCHEMBL2654661 0.78 GCGR (0.55) GCGRGIPRNPC1RAB9A
SCHEMBL2655395 0.78 GCGR (0.41) GCGRMEN1KMT2A
SCHEMBL2656103 0.78 GCGR (0.43) GCGRGIPREPHX2
SCHEMBL2654191 0.78 PPARD (0.42) 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 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