SCHEMBL2655396

SCHEMBL2655396

COC(=O)[C@H](O)CNC(=O)c1ccc(CCC(C)COc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.46
EPHX2 P34913 5/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GCGR P47871 2/20 0.45
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ESRRG P62508 3/20 0.41
ESRRB O95718 1/20 0.41
GIPR P48546 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2655312 0.91 GCGR (0.54) NR1H4EPHX2MAPTLMNANPC1
SCHEMBL2655054 0.91 GCGR (0.54) NR1H4EPHX2MAPTLMNANPC1
SCHEMBL2653886 0.91 GCGR (0.54) NR1H4EPHX2MAPTLMNANPC1
SCHEMBL2657119 0.84 NR1H4 (0.47) NR1H4EPHX2NPC1RAB9AMEN1
SCHEMBL2655270 0.83 GCGR (0.53) NR1H4EPHX2NPC1RAB9AL3MBTL1
SCHEMBL2654483 0.82 RXRA (0.60) NR1H4EPHX2
SCHEMBL2655101 0.81 ESRRG (0.49) NR1H4EPHX2NPC1RAB9AMEN1
SCHEMBL2654353 0.79 NR1H4 (0.54) NR1H4EPHX2NPC1RAB9AL3MBTL1
SCHEMBL2653634 0.76 MEN1 (0.49) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL2662283 0.76 MEN1 (0.46) MEN1KMT2AGCGRCA12CA1

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