SCHEMBL2653943

SCHEMBL2653943

COC(=O)CCNC(=O)c1ccc(CC(C)COc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.48
EPHX2 P34913 5/20 0.48
GCGR P47871 5/20 0.48
ADCY6 O43306 4/20 0.48
ADCY3 O60266 4/20 0.48
ADCY9 O60503 4/20 0.48
ADCY5 O95622 4/20 0.48
ADCY8 P40145 4/20 0.48
ADCY7 P51828 4/20 0.48
ADCY2 Q08462 4/20 0.48
ADCY1 Q08828 4/20 0.48
ADCY4 Q8NFM4 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL2654579 0.91 PPARD (0.43) EPHX2GCGRADCY6ADCY3ADCY9
SCHEMBL2653428 0.91 GCGR (0.58) NR1H4EPHX2GCGRADCY6ADCY3
SCHEMBL2657119 0.90 NR1H4 (0.47) NR1H4EPHX2GCGRADCY6ADCY3
SCHEMBL2654626 0.89 GCGR (0.51) NR1H4EPHX2GCGRADCY6ADCY3
SCHEMBL2653911 0.87 GCGR (0.43) NR1H4EPHX2GCGRADCY6ADCY3
SCHEMBL2655101 0.87 ESRRG (0.49) NR1H4EPHX2L3MBTL1NPC1MEN1
SCHEMBL2655436 0.82 NPC1 (0.55) NR1H4EPHX2L3MBTL1NPC1MEN1
SCHEMBL2657309 0.82 ESRRG (0.53) NR1H4EPHX2GCGRADCY6ADCY3
SCHEMBL2653550 0.82 GCGR (0.49) EPHX2GCGRADCY6ADCY3ADCY9
SCHEMBL2655081 0.82 NPC1 (0.54) NR1H4EPHX2L3MBTL1NPC1MEN1

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