SCHEMBL2655431

SCHEMBL2655431

O=C(O)CCNC(=O)c1ccc(CCCCCCCSc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
GCGR P47871 9/20 0.47
GIPR P48546 5/20 0.47
MLYCD O95822 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
S1PR1 P21453 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
FAAH O00519 1/20 0.42
PLA2G4B P0C869 1/20 0.42
SLC6A5 Q9Y345 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
SCHEMBL2654871 0.92 SLC13A5 (0.45) GCGRGIPRMLYCD
SCHEMBL2653591 0.90 EPHX2 (0.56) EPHX2GCGRGIPRMLYCDHRH3
SCHEMBL2654640 0.89 MEN1 (0.43) MLYCDPPARDPPARAPLA2G4B
SCHEMBL2655586 0.89 GCGR (0.48) EPHX2GCGRGIPRPPARA
SCHEMBL2656017 0.88 S1PR1 (0.53) GCGRHRH3S1PR1
SCHEMBL2653397 0.88 HSD17B10 (0.49) HRH3S1PR1PLA2G4B
SCHEMBL2661613 0.84 MEN1 (0.55) EPHX2GCGRGIPRS1PR1
SCHEMBL2653662 0.84 MEN1 (0.55) EPHX2GCGRGIPRS1PR1
SCHEMBL2654985 0.84 MEN1 (0.55) EPHX2GCGRGIPRS1PR1
SCHEMBL2654122 0.84 MEN1 (0.55) EPHX2GCGRGIPRS1PR1

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 disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed