SCHEMBL2654748

SCHEMBL2654748

CCC(CCCCc1ccc(C(=O)NCCC(=O)OC)s1)COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARD Q03181 4/20 0.34
GCG P01275 4/20 0.33
CHRM5 P08912 1/20 0.33
GLP1R P43220 1/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
MCL1 Q07820 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2654750 0.93 GCGR (0.38) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2653083 0.88 HPGD (0.41) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2654872 0.88 GCGR (0.42) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2652772 0.88 HPGD (0.42) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2653931 0.88 HPGD (0.39) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2654086 0.87 GCGR (0.40) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2655507 0.87 GCGR (0.45) GCGRPPARDGCGCHRM5GLP1R
SCHEMBL2654978 0.85 MAPT (0.39) GCGRHPGDMAPTEPHX2PPARD
SCHEMBL2653672 0.84 GCGR (0.39) GCGRMAPTEPHX2PPARDPPARA
SCHEMBL2666428 0.83 GCGR (0.40) GCGRMAPTEPHX2PPARDPPARA

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed