SCHEMBL2652464

SCHEMBL2652464

COC(=O)CCNC(=O)c1ccc(OCCCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PPARA Q07869 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
PTAFR P25105 2/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CNR2 P34972 1/20 0.39
TDO2 P48775 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
SCHEMBL2652487 0.92 PPARD (0.45) PPARDROCK2ROCK1MAPTLMNA
SCHEMBL2651240 0.88 MAPT (0.48) ROCK2ROCK1MAPTTP53SMN1; SMN2
SCHEMBL2652459 0.87 SMN1; SMN2 (0.52) PPARDMAPTLMNATP53PPARA
SCHEMBL2654487 0.85 MEN1 (0.48) ROCK2ROCK1MAPTTP53SMN1; SMN2
SCHEMBL2662329 0.85 MEN1 (0.49) ROCK2ROCK1MAPTTP53PPARA
SCHEMBL2652924 0.85 SMN1; SMN2 (0.53) PPARDMAPTTP53PPARASMN1; SMN2
SCHEMBL2651645 0.84 PPARD (0.48) PPARDROCK2ROCK1MAPTLMNA
SCHEMBL2653664 0.83 MEN1 (0.48) PPARDROCK2ROCK1MAPTTP53
SCHEMBL2652938 0.82 MEN1 (0.48) PPARDROCK2ROCK1MAPTTP53
SCHEMBL2652102 0.82 PPARD (0.49) PPARDROCK2ROCK1MAPTLMNA

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