SCHEMBL2653723

SCHEMBL2653723

N#Cc1ccc(-c2ccc(NCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
GCGR P47871 1/20 0.47
MAPK1 P28482 1/20 0.45
GCG P01275 1/20 0.45
S1PR1 P21453 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FFAR1 O14842 1/20 0.44
NAMPT P43490 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM4 P08173 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
MLYCD O95822 1/20 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
SCHEMBL2654908 0.82 GCGR (0.46) PPARAGCGRGCGHRH3CD274
SCHEMBL7299486 0.79 EPHX2 (0.58) GCGRMAPK1HRH3NAMPTCD274
SCHEMBL2653591 0.78 EPHX2 (0.56) PPARAGCGRMAPK1S1PR1HRH3
SCHEMBL11405937 0.77 MAPK1 (0.45) MAPK1TSHRHDAC3HDAC1
SCHEMBL11401171 0.77 MAPK1 (0.45) MAPK1TSHRHDAC3HDAC1
SCHEMBL15723432 0.75 RARB (0.61) GCGRMAPK1S1PR1HRH3SIGMAR1
SCHEMBL2654580 0.74 S1PR1 (0.56) S1PR1FFAR1RAB9A
SCHEMBL5515823 0.74 NAMPT (0.67) MAPK1NAMPTCD274EPHX2HDAC3
SCHEMBL5543873 0.74 NAMPT (0.67) MAPK1NAMPTCD274EPHX2HDAC3
SCHEMBL20707157 0.74 NAMPT (0.67) MAPK1NAMPTCD274EPHX2HDAC3

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