SCHEMBL2652916

SCHEMBL2652916

O=C(NC[C@@H](O)C(=O)O)c1ccc(OCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.52
GIPR P48546 6/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK14 Q16539 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GLP1R P43220 2/20 0.42
MAOB P27338 2/20 0.42

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 1.00 GCGR (0.52) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2655337 0.96 GCGR (0.51) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2653634 0.86 MEN1 (0.49) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2652593 0.83 MEN1 (0.57) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2653326 0.83 MEN1 (0.57) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2652217 0.82 BCL2 (0.54) MEN1KMT2APPARDPPARAMAOB
SCHEMBL2653079 0.82 BCL2 (0.54) MEN1KMT2APPARDPPARAMAOB
SCHEMBL2652509 0.81 MEN1 (0.56) MEN1KMT2ANPC1RAB9APPARG
SCHEMBL2655721 0.80 MEN1 (0.56) GCGRGIPRMEN1KMT2AMAPK14
SCHEMBL2651906 0.80 MEN1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed