SCHEMBL2653083

SCHEMBL2653083

COC(=O)CCNC(=O)c1ccc(CCCCOc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.38
GCGR P47871 1/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 4/20 0.38
PPARG P37231 3/20 0.38
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MCL1 Q07820 2/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APOB P04114 1/20 0.35
MTTP P55157 1/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2652772 0.99 HPGD (0.42) HPGDMAPTGCGRPPARAPPARD
SCHEMBL2653931 0.97 HPGD (0.39) HPGDMAPTGCGRPPARAPPARD
SCHEMBL2654978 0.95 MAPT (0.39) HPGDMAPTGCGRPPARAPPARD
SCHEMBL2652386 0.92 GCGR (0.42) HPGDMAPTGCGRPPARAPPARG
SCHEMBL2652620 0.92 GCGR (0.46) GCGRPPARAPPARDPPARGMAPK11
SCHEMBL2652586 0.92 GCGR (0.45) GCGRPPARAPPARDPPARGMAPK11
SCHEMBL2654307 0.92 HPGD (0.43) HPGDMAPTGCGRPPARAPPARG
SCHEMBL2653567 0.90 PPARD (0.41) HPGDMAPTGCGRPPARAPPARD
SCHEMBL2652922 0.90 GCGR (0.46) GCGRPPARAPPARDPPARGMCL1
SCHEMBL2653812 0.90 GCGR (0.42) HPGDMAPTGCGRPPARAPPARG

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