SCHEMBL2653591

SCHEMBL2653591

O=C(O)CCNC(=O)c1ccc(CCCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
MLYCD O95822 2/20 0.52
GCGR P47871 4/20 0.50
GIPR P48546 3/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAPK1 P28482 1/20 0.50
S1PR1 P21453 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
FAAH O00519 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
FFAR1 O14842 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL2652235 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2654122 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2654583 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2653574 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2652886 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2653662 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2654985 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2661613 0.91 MEN1 (0.55) EPHX2GCGRGIPRS1PR1FFAR1
SCHEMBL2653174 0.90 GCGR (0.50) EPHX2MLYCDGCGRGIPR
SCHEMBL2655431 0.90 EPHX2 (0.47) EPHX2MLYCDGCGRGIPRHRH3

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed