SCHEMBL2666428

SCHEMBL2666428

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
PPARD Q03181 13/20 0.40
PPARA Q07869 6/20 0.40
PPARG P37231 4/20 0.40
MAPT P10636 1/20 0.39
MCL1 Q07820 1/20 0.38
EPHX2 P34913 1/20 0.38
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL2666495 0.92 GCGR (0.44) GCGRPPARDMAPTFFAR1
SCHEMBL2666451 0.92 GCGR (0.48) GCGRPPARDPPARAPPARGMCL1
SCHEMBL2654978 0.91 MAPT (0.39) GCGRPPARDPPARAPPARGMAPT
SCHEMBL2653931 0.90 HPGD (0.39) GCGRPPARDPPARAPPARGMAPT
SCHEMBL2653083 0.90 HPGD (0.41) GCGRPPARDPPARAPPARGMAPT
SCHEMBL9072397 0.89 PPARD (0.41) GCGRPPARDPPARAPPARGSPHK2
SCHEMBL2652772 0.89 HPGD (0.42) GCGRPPARDPPARAPPARGMAPT
SCHEMBL2653672 0.88 GCGR (0.39) GCGRPPARDPPARAPPARGMAPT
SCHEMBL2653427 0.87 GCGR (0.40) GCGRPPARDPPARAPPARGMAPT
SCHEMBL2654616 0.87 GCGR (0.40) GCGRPPARDPPARAPPARGMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed