SCHEMBL2654932

SCHEMBL2654932

COC(=O)CCNC(=O)c1ccc(CCC(C)CCOc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
GIPR P48546 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MCL1 Q07820 1/20 0.38
GCG P01275 1/20 0.37
CHRM5 P08912 1/20 0.37
GLP1R P43220 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
SCHEMBL2656116 0.92 GCGR (0.55) GCGRMEN1KMT2AGIPRPPARD
SCHEMBL2656001 0.92 GCGR (0.51) GCGRMEN1KMT2AMAPT
SCHEMBL2655056 0.92 GCGR (0.47) GCGRMEN1KMT2AMAPTROCK2
SCHEMBL2657426 0.91 GCGR (0.46) GCGRMAPTROCK2ROCK1GIPR
SCHEMBL2653285 0.87 GCGR (0.45) GCGRMEN1KMT2AMAPTGIPR
SCHEMBL2655857 0.86 GCGR (0.46) GCGRMAPTPPARDPPARAGCG
SCHEMBL2655157 0.85 GCGR (0.60) GCGR
SCHEMBL2653577 0.85 GCGR (0.51) GCGRMEN1KMT2AMAPT
SCHEMBL2654697 0.85 GCGR (0.55) GCGRGIPRPPARDPPARAGCG
SCHEMBL2655051 0.85 GCGR (0.55) GCGRGIPRPPARDPPARAGCG

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-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO disclosed