SCHEMBL2654750

SCHEMBL2654750

CCCC(CCCc1ccc(C(=O)NCCC(=O)OC)s1)COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.38
MAPT P10636 1/20 0.35
GCG P01275 5/20 0.35
HPGD P15428 1/20 0.35
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
EPHX2 P34913 1/20 0.34
CHRM5 P08912 1/20 0.34
GLP1R P43220 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL2654748 0.93 GCGR (0.37) GCGRMAPTGCGHPGDPPARD
SCHEMBL2655507 0.93 GCGR (0.45) GCGRGCGPPARDPPARAPPARG
SCHEMBL2653931 0.88 HPGD (0.39) GCGRMAPTHPGDPPARDPPARA
SCHEMBL2654086 0.88 GCGR (0.40) GCGRMAPTHPGDPPARDPPARA
SCHEMBL2653083 0.88 HPGD (0.41) GCGRMAPTHPGDPPARDPPARA
SCHEMBL2652772 0.87 HPGD (0.42) GCGRMAPTHPGDPPARDPPARA
SCHEMBL2654978 0.86 MAPT (0.39) GCGRMAPTHPGDPPARDPPARA
SCHEMBL2666428 0.86 GCGR (0.40) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2653672 0.84 GCGR (0.39) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2654872 0.84 GCGR (0.42) GCGRMAPTHPGDPPARDPPARA

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