SCHEMBL2653963

SCHEMBL2653963

COc1ccc(-c2ccc(SCC(C)CCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.48
GCGR P47871 10/20 0.47
HDAC1 Q13547 1/20 0.41
GCG P01275 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
BRAF P15056 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ACACB O00763 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
SCHEMBL2654712 0.84 GCG (0.47) GCGRGCGHRH3
SCHEMBL2655295 0.82 FOLH1 (0.44) GCGRGCGHRH3
SCHEMBL2655306 0.82 HRH3 (0.43) GCGRGCGHRH3
SCHEMBL2654684 0.82 GCGR (0.47) GCGRGCGHRH3
SCHEMBL2654700 0.81 MMP12 (0.45) CD274GCGRHDAC1GCGHRH3
SCHEMBL2655487 0.81 GCG (0.60) GCGRGCGHRH3
SCHEMBL2656081 0.81 GCGR (0.55) GCGR
SCHEMBL1765672 0.77 GCG (0.67) CD274GCGRGCG
SCHEMBL2653809 0.77 MCHR1 (0.37) GCGRGCGHRH3
SCHEMBL2653361 0.75 NPC1 (0.49)

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-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