SCHEMBL2653634

SCHEMBL2653634

COC(=O)C(O)CNC(=O)c1ccc(CCCCCCCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GCGR P47871 1/20 0.42
GIPR P48546 1/20 0.42
MAOB P27338 1/20 0.42
MAPK14 Q16539 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADAM17 P78536 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAAA Q02083 1/20 0.41
CYP2D6 P10635 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
POLB P06746 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
EPHX2 P34913 1/20 0.40
SMPD1 P17405 1/20 0.39

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
SCHEMBL2655337 0.90 GCGR (0.51) MEN1KMT2AGCGRGIPRMAPK14
SCHEMBL2651132 0.86 GCGR (0.52) MEN1KMT2AGCGRGIPRMAOB
SCHEMBL2652916 0.86 GCGR (0.52) MEN1KMT2AGCGRGIPRMAOB
SCHEMBL2652878 0.83 MEN1 (0.55) MEN1KMT2AMAOBRAB9ANAAA
SCHEMBL2653990 0.82 MEN1 (0.56) MEN1KMT2AMAOBMAPK14NPC1
SCHEMBL2654466 0.82 MEN1 (0.56) MEN1KMT2AMAOBMAPK14NPC1
SCHEMBL2652734 0.81 MEN1 (0.57) MEN1KMT2AMAOBMAPK14NPC1
SCHEMBL2653250 0.81 MEN1 (0.57) MEN1KMT2AMAOBMAPK14NPC1
SCHEMBL2652509 0.80 MEN1 (0.56) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL2661613 0.80 MEN1 (0.55) MEN1KMT2AGCGRGIPRMAPK14

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