SCHEMBL2654908

SCHEMBL2654908

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)CNc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
PPARA Q07869 2/20 0.45
GCG P01275 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 2/20 0.43
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 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
SCHEMBL2653991 0.91 PPARA (0.43) GCGRMMP12MMP13PPARAMEN1
SCHEMBL2653879 0.86 GCGR (0.57) GCGREPHX2ADCY6ADCY3ADCY9
SCHEMBL2655298 0.85 FFAR1 (0.49) GCGRGCGHRH3EPHX2ADCY6
SCHEMBL2654700 0.84 MMP12 (0.45) GCGRMMP12MMP13PPARAGCG
SCHEMBL2653723 0.82 PPARA (0.48) GCGRPPARAGCGHRH3EPHX2
SCHEMBL2657509 0.76 ROCK2 (0.41) GCGRPPARAEPHX2ADCY6ADCY3
SCHEMBL2657987 0.76 NR1H4 (0.59) GCGRHRH3EPHX2ADCY6ADCY3
SCHEMBL7299486 0.76 EPHX2 (0.58) GCGRMEN1KMT2AHRH3EPHX2
SCHEMBL2655282 0.75 GCGR (0.51) GCGRPPARAGCGEPHX2
SCHEMBL2654904 0.74 GCG (0.56) GCGRGCG

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-1951661-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-08-06 EP claimed
WO-2007106181-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-09-20 WO claimed
EP-1951661-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-08-06 EP disclosed
WO-2007106181-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-09-20 WO disclosed