SCHEMBL2651645

SCHEMBL2651645

CCOC(=O)CCNC(=O)c1ccc(OCCCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.48
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
EPHX2 P34913 1/20 0.44
CNR2 P34972 3/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ESRRG P62508 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2653259 0.92 PPARD (0.50) PPARDPPARGPPARAEPHX2CNR2
SCHEMBL2652102 0.89 PPARD (0.49) PPARDPPARGPPARAEPHX2CNR2
SCHEMBL2651863 0.84 MAPT (0.57) PPARGEPHX2MAPTSMN1; SMN2
SCHEMBL2652464 0.84 PPARD (0.44) PPARDPPARGPPARACNR2MAPT
SCHEMBL2652659 0.83 PPARD (0.52) PPARDPPARGPPARAROCK2ROCK1
SCHEMBL2652487 0.80 PPARD (0.45) PPARDPPARGPPARAMAPTLMNA
SCHEMBL2654466 0.79 MEN1 (0.56) MAPTTP53ROCK2ROCK1SMN1; SMN2
SCHEMBL2653990 0.79 MEN1 (0.56) MAPTTP53ROCK2ROCK1SMN1; SMN2
SCHEMBL2271647 0.79 GCG (0.51)
SCHEMBL2655041 0.79 PPARD (0.50) PPARDPPARGPPARAEPHX2ROCK2

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