SCHEMBL2653779

SCHEMBL2653779

COC(=O)CCNC(=O)c1ccc(C(O)CCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
GCGR P47871 7/20 0.41
FDFT1 P37268 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GIPR P48546 1/20 0.41
ESRRG P62508 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MLYCD O95822 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL2653174 0.89 GCGR (0.50) GCGRGIPRMLYCD
SCHEMBL2653990 0.84 MEN1 (0.56) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2654466 0.84 MEN1 (0.56) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2653250 0.83 MEN1 (0.57) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2652734 0.83 MEN1 (0.57) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2654640 0.83 MEN1 (0.43) ROCK2ROCK1MEN1KMT2AESRRG
SCHEMBL2271871 0.82 GCGR (0.48) GCGRMEN1KMT2AGIPRSMN1; SMN2
SCHEMBL2273243 0.82 GCGR (0.48) GCGRMEN1KMT2AGIPRSMN1; SMN2
SCHEMBL2653962 0.82 MEN1 (0.58) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2652804 0.80 PPARA (0.52) ROCK2ROCK1GCGRPPARDPPARA

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