SCHEMBL2655751

SCHEMBL2655751

O=C(NCC(O)C(=O)O)c1ccc(CCCCCCCOc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
PPARG P37231 5/20 0.44
PPARA Q07869 2/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
GCGR P47871 3/20 0.44
TRPV1 Q8NER1 1/20 0.42
SLC6A3 Q01959 1/20 0.41
EPHX2 P34913 3/20 0.40
GIPR P48546 2/20 0.40
CCR2 P41597 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL2655337 0.83 GCGR (0.51) PPARGPPARAGCGRGIPRNR1H4
SCHEMBL2652916 0.79 GCGR (0.52) PPARGPPARAGCGRGIPR
SCHEMBL2651132 0.79 GCGR (0.52) PPARGPPARAGCGRGIPR
SCHEMBL1765404 0.77 SLC6A3 (0.47) PPARGPPARAPTGESALOX5GCGR
SCHEMBL12648837 0.77 SLC6A3 (0.47) PPARGPPARAPTGESALOX5GCGR
SCHEMBL2653634 0.74 MEN1 (0.49) PPARGPPARAGCGREPHX2GIPR
SCHEMBL2655250 0.73 GCGR (0.44) CA9CA1CA2CA7GCGR
SCHEMBL2655236 0.71 GCGR (0.46) GCGR
SCHEMBL2654468 0.70 PPARD (0.51) GCGR
SCHEMBL2654607 0.69 GCGR (0.46) GCGREPHX2GIPRNR1H4

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-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
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