SCHEMBL2654871

SCHEMBL2654871

O=C(O)CCNC(=O)c1ccc(CCCCCCCSc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.45
GCGR P47871 14/20 0.44
MME P08473 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
GIPR P48546 1/20 0.42
MLYCD O95822 1/20 0.41
ASAH1 Q13510 1/20 0.41
BACE1 P56817 1/20 0.41
GLP1R P43220 1/20 0.40

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
SCHEMBL2655431 0.92 EPHX2 (0.47) GCGRGIPRMLYCD
SCHEMBL2656425 0.85 HRH3 (0.44)
SCHEMBL2654485 0.84 NPC1 (0.47) GCGRGIPR
SCHEMBL2653591 0.82 EPHX2 (0.56) GCGRGIPRMLYCD
SCHEMBL2654574 0.82 GCG (0.57)
SCHEMBL2653397 0.82 HSD17B10 (0.49)
SCHEMBL2656017 0.82 S1PR1 (0.53) GCGRCYSLTR2CYSLTR1
SCHEMBL2654640 0.81 MEN1 (0.43) MLYCD
SCHEMBL2655586 0.81 GCGR (0.48) GCGRGIPR
SCHEMBL2654996 0.81 FFAR1 (0.48)

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