SCHEMBL2653567

SCHEMBL2653567

COC(=O)CCNC(=O)c1ccc(CCCCOc2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
HPGD P15428 1/20 0.40
GCGR P47871 3/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.35
POLQ O75417 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
SCHEMBL2654749 0.93 GCGR (0.46) PPARDPPARGPPARAGCGR
SCHEMBL2655511 0.93 HPGD (0.40) PPARDPPARGPPARAHPGDGCGR
SCHEMBL2652528 0.92 HPGD (0.42) PPARDPPARGPPARAHPGDGCGR
SCHEMBL2655313 0.92 GCGR (0.45) PPARDPPARGPPARAGCGR
SCHEMBL2653083 0.90 HPGD (0.41) PPARDPPARGPPARAHPGDGCGR
SCHEMBL2653247 0.90 HPGD (0.39) PPARDPPARGPPARAHPGDGCGR
SCHEMBL2654424 0.90 GCGR (0.46) PPARDPPARGPPARAGCGR
SCHEMBL9072397 0.90 PPARD (0.41) PPARDPPARGPPARAGCGR
SCHEMBL2652772 0.89 HPGD (0.42) PPARDPPARGPPARAHPGDGCGR
SCHEMBL2653431 0.89 HPGD (0.47) PPARDPPARGPPARAHPGDNOD2

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