SCHEMBL2654628

SCHEMBL2654628

Cc1cc(OCC(C)(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 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.43
GIPR P48546 10/20 0.43
GLP1R P43220 2/20 0.42
PPARA Q07869 4/20 0.39
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38

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
SCHEMBL2654950 0.93 GCGR (0.46) GCGRGIPR
SCHEMBL2653226 0.90 GCGR (0.41) GCGRGIPRGLP1R
SCHEMBL2653584 0.86 GCGR (0.56) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2655395 0.86 GCGR (0.41) GCGRPPARAPPARDPPARG
SCHEMBL2654191 0.86 PPARD (0.42) GCGRPPARAPPARDPPARG
SCHEMBL2654352 0.85 GCGR (0.44) GCGR
SCHEMBL2656103 0.85 GCGR (0.43) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2655103 0.84 GCGR (0.47) GCGRPPARAPPARDPPARG
SCHEMBL2654727 0.81 GCGR (0.55) GCGRGIPRGLP1RPPARAPPARD
SCHEMBL2655611 0.79 GCGR (0.60) GCGRGIPR

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