SCHEMBL2653312

SCHEMBL2653312

COC(=O)CCNC(=O)c1ccc(CC(C)(C)CSc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
GCGR P47871 1/20 0.36
MCL1 Q07820 2/20 0.35
EPHX2 P34913 1/20 0.35
PPARA Q07869 5/20 0.35
PPARD Q03181 5/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
P2RY14 Q15391 2/20 0.34
PPARG P37231 1/20 0.34
POLQ O75417 1/20 0.33
HTR1D P28221 1/20 0.33
OPRD1 P41143 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
POLB P06746 1/20 0.33
APOB P04114 1/20 0.33
MTTP P55157 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2653185 0.92 MAPT (0.36) MAPTGCGRMCL1EPHX2PPARA
SCHEMBL2661637 0.92 MCL1 (0.43) GCGRMCL1PPARAPPARDNPC1
SCHEMBL2653617 0.86 HPGD (0.38) MAPTGCGRMCL1EPHX2PPARA
SCHEMBL2653024 0.85 HPGD (0.40) MAPTGCGRMCL1EPHX2PPARA
SCHEMBL2655317 0.85 GCGR (0.39) MAPTGCGREPHX2NPC1ALDH1A1
SCHEMBL2653982 0.85 GCGR (0.44) GCGRMCL1
SCHEMBL2653460 0.85 HPGD (0.41) MAPTGCGRMCL1EPHX2PPARA
SCHEMBL2661440 0.85 PPARD (0.37) MAPTGCGRMCL1EPHX2PPARA
SCHEMBL2655204 0.84 GCGR (0.42) MAPTGCGRMCL1PPARAPPARD
SCHEMBL2655475 0.83 PPARD (0.39) PPARAPPARDNPC1ALDH1A1GAA

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