SCHEMBL2656103

SCHEMBL2656103

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.43
GIPR P48546 9/20 0.43
GLP1R P43220 2/20 0.40
PPARA Q07869 3/20 0.39
PPARD Q03181 3/20 0.39
PPARG P37231 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL2654697 0.87 GCGR (0.55) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2656365 0.87 GCGR (0.40) GCGRPPARAPPARDPPARG
SCHEMBL2654628 0.85 GCGR (0.43) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2655056 0.85 GCGR (0.47) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2653886 0.81 GCGR (0.54) GCGRGIPREPHX2
SCHEMBL2655312 0.81 GCGR (0.54) GCGRGIPREPHX2
SCHEMBL2655054 0.81 GCGR (0.54) GCGRGIPREPHX2
SCHEMBL2656515 0.81 RAB9A (0.41) GCGRGIPRGLP1RPPARAPPARG
SCHEMBL2656116 0.80 GCGR (0.55) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2655617 0.79 GCGR (0.61) GCGREPHX2

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