SCHEMBL2659778

SCHEMBL2659778

CCC(CCOc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)c1ccc(C(=O)NCCC(=O)OC)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 7/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
GCGR P47871 11/20 0.39
GIPR P48546 4/20 0.39
PPARD Q03181 1/20 0.38
GLP1R P43220 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SPHK2 Q9NRA0 1/20 0.36
VIPR2 P41587 1/20 0.36

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
SCHEMBL1765249 0.82 GCGR (0.48) GCGABL1BCRGCGRGIPR
SCHEMBL2654487 0.78 MEN1 (0.48) GCGABL1BCRGCGRGIPR
SCHEMBL2274002 0.77 MAOB (0.49) GCGABL1BCRGCGRGIPR
SCHEMBL2271957 0.77 GCGR (0.56) GCGGCGRGIPRGLP1R
SCHEMBL2662329 0.76 MEN1 (0.49) GCGABL1BCRGCGRGIPR
SCHEMBL1765610 0.75 GCGR (0.56) GCGGCGRGIPRGLP1R
SCHEMBL1765419 0.75 GCG (0.57) GCGGCGRGIPRGLP1R
SCHEMBL2651240 0.75 MAPT (0.48) GCGABL1BCRGCGRGIPR
SCHEMBL1765298 0.74 GCG (0.58) GCGGCGRGIPRGLP1R
SCHEMBL2652464 0.74 PPARD (0.44) PPARDLMNATP53MAPT

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