SCHEMBL2655282

SCHEMBL2655282

Cc1cc(NCC(C)CCc2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.51
GIPR P48546 5/20 0.45
GCG P01275 1/20 0.42
EPHX2 P34913 1/20 0.42
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL2657436 0.90 GCGR (0.54) GCGRGIPRPPARDPPARA
SCHEMBL2655298 0.89 FFAR1 (0.49) GCGRGIPRGCGEPHX2FFAR1
SCHEMBL2654697 0.85 GCGR (0.55) GCGRGIPRGCGPPARDPPARA
SCHEMBL2654856 0.85 GCGR (0.49) GCGRGIPRGCGPPARD
SCHEMBL2656116 0.84 GCGR (0.55) GCGRGIPRGCGPPARDPPARA
SCHEMBL2657426 0.81 GCGR (0.46) GCGRGIPREPHX2PPARDPPARA
SCHEMBL2653879 0.81 GCGR (0.57) GCGREPHX2
SCHEMBL2657509 0.80 ROCK2 (0.41) GCGREPHX2FFAR1PPARDPPARA
SCHEMBL2653639 0.79 GCGR (0.56) GCGRGIPRGCGPPARDPPARA
SCHEMBL2656273 0.79 GCGR (0.54) GCGRGIPRGCGEPHX2PPARD

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