SCHEMBL2654863

SCHEMBL2654863

COC(=O)CCNC(=O)c1ccc(CCCC(C)(C)COc2ccc(-c3ccc(C(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 5/20 0.45
GCG P01275 1/20 0.42
ESRRB O95718 1/20 0.41
EPHX2 P34913 4/20 0.41
NR1H4 Q96RI1 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GCGR P47871 2/20 0.39
GIPR P48546 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2657400 0.92 GCG (0.50) ESRRGGCGESRRBEPHX2NR1H4
SCHEMBL2654032 0.90 ESRRG (0.47) ESRRGGCGESRRBEPHX2NR1H4
SCHEMBL2656412 0.89 SMN1; SMN2 (0.41) ESRRGEPHX2NR1H4NPC1RAB9A
SCHEMBL2656186 0.86 GCG (0.49) GCGMEN1KMT2AGCGRGIPR
SCHEMBL2654566 0.85 KMT2A (0.54) ESRRGNPC1RAB9AMEN1KMT2A
SCHEMBL2661394 0.83 MEN1 (0.48) ESRRGNPC1RAB9AL3MBTL1MEN1
SCHEMBL2654622 0.81 GCG (0.53) ESRRGGCGESRRBEPHX2NR1H4
SCHEMBL2654487 0.81 MEN1 (0.48) GCGNPC1RAB9AMEN1KMT2A
SCHEMBL2655436 0.80 NPC1 (0.55) ESRRGESRRBEPHX2NR1H4NPC1
SCHEMBL2655081 0.79 NPC1 (0.54) ESRRGESRRBEPHX2NR1H4NPC1

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