SCHEMBL2652804

SCHEMBL2652804

COC(=O)CCNC(=O)c1ccc(CCCCCCCc2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.52
PPARD Q03181 4/20 0.52
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
PPARG P37231 2/20 0.49
MAPT P10636 1/20 0.47
GCGR P47871 2/20 0.46
GAA P10253 1/20 0.44
CASR P41180 2/20 0.44
PTAFR P25105 1/20 0.44

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
SCHEMBL2651035 0.93 PPARA (0.60) PPARAPPARDROCK2ROCK1PPARG
SCHEMBL2653990 0.82 MEN1 (0.56) ROCK2ROCK1MAPT
SCHEMBL2654466 0.82 MEN1 (0.56) ROCK2ROCK1MAPT
SCHEMBL2655916 0.81 PPARD (0.49) PPARAPPARDROCK2ROCK1PPARG
SCHEMBL2654911 0.81 MEN1 (0.47) PPARAPPARDROCK2ROCK1PPARG
SCHEMBL2652734 0.81 MEN1 (0.57) ROCK2ROCK1MAPT
SCHEMBL2653250 0.81 MEN1 (0.57) ROCK2ROCK1MAPT
SCHEMBL2653779 0.80 ROCK2 (0.42) PPARAPPARDROCK2ROCK1GCGR
SCHEMBL2654640 0.80 MEN1 (0.43) PPARAPPARDROCK2ROCK1MAPT
SCHEMBL2269762 0.80 GCGR (0.53) GCGR

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed