SCHEMBL2654640

SCHEMBL2654640

COC(=O)CCNC(=O)c1ccc(CCCCCCCSc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ESRRG P62508 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PLA2G4B P0C869 1/20 0.40
MLYCD O95822 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC4 P56524 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
SCHEMBL2655431 0.89 EPHX2 (0.47) PPARDPPARAPLA2G4BMLYCD
SCHEMBL2653990 0.86 MEN1 (0.56) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2654466 0.86 MEN1 (0.56) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2653250 0.85 MEN1 (0.57) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2652734 0.85 MEN1 (0.57) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2653962 0.84 MEN1 (0.58) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2653779 0.83 ROCK2 (0.42) MEN1KMT2AROCK2ROCK1ESRRG
SCHEMBL2654871 0.81 SLC13A5 (0.45) MLYCD
SCHEMBL2655689 0.81 MEN1 (0.50) MEN1KMT2AROCK2ROCK1NPC1
SCHEMBL2652804 0.80 PPARA (0.52) ROCK2ROCK1PPARDPPARAMAPT

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-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