SCHEMBL2654700

SCHEMBL2654700

CC(CCc1ccc(C(=O)NCCC(=O)O)cc1)CSc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
GCGR P47871 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GCG P01275 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
EPHX2 P34913 5/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
RAB9A P51151 2/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 1/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 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
SCHEMBL2654712 0.87 GCG (0.47) GCGRHRH3GCGEPHX2RAB9A
SCHEMBL2655306 0.86 HRH3 (0.43) GCGRHRH3GCGEPHX2RAB9A
SCHEMBL2654684 0.86 GCGR (0.47) GCGRHRH3GCGEPHX2PPARA
SCHEMBL2655487 0.85 GCG (0.60) GCGRHRH3GCGRAB9ANPC1
SCHEMBL2655295 0.84 FOLH1 (0.44) GCGRHRH3GCGMEN1KMT2A
SCHEMBL2654908 0.84 GCGR (0.46) MMP12MMP13GCGRHRH3GCG
SCHEMBL2656081 0.83 GCGR (0.55) GCGRCYP2C9
SCHEMBL2653963 0.81 CD274 (0.48) GCGRHRH3GCGCD274HDAC1
SCHEMBL2653257 0.78 GCG (0.42) GCGRHRH3GCGEPHX2KMT2A
SCHEMBL2653809 0.77 MCHR1 (0.37) GCGRHRH3GCGPPARAMEN1

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