SCHEMBL2653672

SCHEMBL2653672

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.39
MAPT P10636 3/20 0.36
PPARD Q03181 4/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 1/20 0.35
MCL1 Q07820 1/20 0.35
EPHX2 P34913 3/20 0.35
APOB P04114 2/20 0.34
MTTP P55157 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GIPR P48546 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
SCHEMBL2653132 0.93 GCGR (0.46) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2653233 0.93 GCGR (0.43) GCGRMAPTMCL1EPHX2SMN1; SMN2
SCHEMBL2654086 0.92 GCGR (0.40) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2653090 0.91 HDAC3 (0.38) GCGRPPARDEPHX2HDAC1HDAC6
SCHEMBL2653071 0.90 GCGR (0.39) GCGRPPARDPPARAPPARGEPHX2
SCHEMBL2653251 0.90 GCGR (0.37) GCGRMAPTPPARDPPARAEPHX2
SCHEMBL2654006 0.89 GCGR (0.35) GCGRMAPTMCL1LMNASMN1; SMN2
SCHEMBL2666428 0.88 GCGR (0.40) GCGRMAPTPPARDPPARAPPARG
SCHEMBL2653156 0.87 NPC1 (0.36) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2654155 0.87 NPC1 (0.36) GCGRPPARDPPARAPPARGMCL1

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