SCHEMBL2654978

SCHEMBL2654978

COC(=O)CCNC(=O)c1ccc(CCOc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GCGR P47871 1/20 0.39
PPARA Q07869 4/20 0.37
PPARD Q03181 3/20 0.37
PPARG P37231 3/20 0.37
MCL1 Q07820 1/20 0.37
EPHX2 P34913 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 1/20 0.36
APOB P04114 2/20 0.36
MTTP P55157 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2653931 0.96 HPGD (0.39) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2653083 0.95 HPGD (0.41) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2652772 0.94 HPGD (0.42) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2654238 0.92 GCGR (0.43) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2666428 0.91 GCGR (0.40) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2653427 0.89 GCGR (0.40) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2654294 0.89 MEN1 (0.41) MAPTPPARAPPARDPPARGTRPV1
SCHEMBL2654086 0.88 GCGR (0.40) MAPTGCGRPPARAPPARDPPARG
SCHEMBL2652922 0.88 GCGR (0.46) GCGRPPARAPPARDPPARGMCL1
SCHEMBL2653812 0.88 GCGR (0.42) MAPTGCGRPPARAPPARGMCL1

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