SCHEMBL2654086

SCHEMBL2654086

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.40
MAPT P10636 3/20 0.36
PPARD Q03181 5/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 3/20 0.34
MCL1 Q07820 1/20 0.34
EPHX2 P34913 1/20 0.34
APOB P04114 2/20 0.33
MTTP P55157 2/20 0.33
GIPR P48546 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
VIPR2 P41587 1/20 0.33
GLP1R P43220 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
SCHEMBL2654440 0.93 GCGR (0.47) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2653672 0.92 GCGR (0.39) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2654877 0.90 HPGD (0.36) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2654978 0.88 MAPT (0.39) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2654750 0.88 GCGR (0.38) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2653931 0.88 HPGD (0.39) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2654748 0.87 GCGR (0.37) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2653083 0.87 HPGD (0.41) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2666428 0.87 GCGR (0.40) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2653834 0.87 PPARD (0.36) GCGRMAPTPPARDPPARAPPARG

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