SCHEMBL2653577

SCHEMBL2653577

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.51
ESRRG P62508 7/20 0.45
ESRRB O95718 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NR1H4 Q96RI1 5/20 0.40
EPHX2 P34913 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MAPT P10636 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
SCHEMBL2656001 0.92 GCGR (0.51) GCGRESRRGESRRBNPC1RAB9A
SCHEMBL2655056 0.92 GCGR (0.47) GCGRMEN1KMT2AMAPT
SCHEMBL2655617 0.92 GCGR (0.61) GCGRESRRGESRRBNPC1RAB9A
SCHEMBL2653418 0.91 GCGR (0.41) GCGRNPC1RAB9AMEN1KMT2A
SCHEMBL2654626 0.91 GCGR (0.51) GCGRESRRGESRRBNPC1RAB9A
SCHEMBL2657119 0.89 NR1H4 (0.47) GCGRESRRGESRRBNPC1RAB9A
SCHEMBL2655101 0.88 ESRRG (0.49) ESRRGESRRBNPC1RAB9ANR1H4
SCHEMBL2662634 0.86 CA1 (0.44) GCGRESRRGESRRBNPC1RAB9A
SCHEMBL2653388 0.85 GCGR (0.49) GCGRESRRGESRRBNPC1RAB9A
SCHEMBL2654932 0.85 GCGR (0.46) GCGRMEN1KMT2AMAPT

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