SCHEMBL2653887

SCHEMBL2653887

O=C(O)CCNC(=O)c1ccc(CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PPARG P37231 4/20 0.42
PPARD Q03181 3/20 0.42
GCGR P47871 5/20 0.42
GIPR P48546 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
MCL1 Q07820 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL2653246 0.95 FFAR4 (0.43) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2652510 0.94 FFAR4 (0.42) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2653599 0.93 FFAR4 (0.41) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2655570 0.93 FFAR4 (0.41) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2654294 0.90 MEN1 (0.41) PPARAPPARGPPARDKMT2AMEN1
SCHEMBL2666511 0.90 PPARD (0.47) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2653785 0.87 PPARA (0.41) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2652866 0.86 GCGR (0.43) PPARAPPARGPPARDGCGRGIPR
SCHEMBL2653034 0.85 HPGD (0.43) PPARAPPARGPPARDKMT2AMEN1
SCHEMBL2653339 0.84 GCGR (0.42) PPARAPPARGPPARDGCGRGIPR

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