SCHEMBL2655337

SCHEMBL2655337

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.51
GIPR P48546 6/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK14 Q16539 1/20 0.45
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
GLP1R P43220 2/20 0.41
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL2651132 0.96 GCGR (0.52) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2652916 0.96 GCGR (0.52) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2653634 0.90 MEN1 (0.49) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2653662 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2653574 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2654122 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2654985 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2652886 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2661613 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2652235 0.84 MEN1 (0.55) GCGRGIPRMEN1KMT2AMAPK14

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 4 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 claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
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