SCHEMBL2665740

SCHEMBL2665740

C=C(NCCC(=O)O)c1ccc(CN(CCc2ccccc2)c2nc(-c3cccc(C#N)c3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.43
GIPR P48546 15/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
GSTO1 P78417 1/20 0.38
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2665810 0.84 GCGR (0.55) GCGRGIPR
SCHEMBL9071166 0.82 GCGR (0.44) GCGRGIPR
SCHEMBL2665930 0.77 CTSL (0.39) GCGRGIPRMEN1KMT2AGSTO1
SCHEMBL9071163 0.75 GCGR (0.61) GCGRGIPR
SCHEMBL2665768 0.73 GCGR (0.62) GCGRGIPR
SCHEMBL3451487 0.73 KMT2A (0.54) MEN1KMT2ANPSR1GSTO1L3MBTL1
SCHEMBL3912223 0.72 PPARD (0.57) MEN1KMT2ANPSR1
SCHEMBL3918017 0.72 FFAR1 (0.57)
SCHEMBL2665815 0.72 GCGR (0.57) GCGRGIPR
SCHEMBL2665971 0.72 GCGR (0.54) GCGRGIPR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed