SCHEMBL2654468

SCHEMBL2654468

O=C(O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.51
GCGR P47871 14/20 0.47
ADCY6 O43306 2/20 0.46
ADCY3 O60266 2/20 0.46
ADCY9 O60503 2/20 0.46
ADCY5 O95622 2/20 0.46
ADCY8 P40145 2/20 0.46
ADCY7 P51828 2/20 0.46
ADCY2 Q08462 2/20 0.46
ADCY1 Q08828 2/20 0.46
ADCY4 Q8NFM4 2/20 0.46
GCG P01275 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL2653535 0.91 GCGR (0.55) PPARDGCGRADCY6ADCY3ADCY9
SCHEMBL2655250 0.90 GCGR (0.44) PPARDGCGRMEN1KMT2ARHOC
SCHEMBL2653422 0.90 PPARD (0.51) PPARDGCGRMEN1KMT2AS1PR1
SCHEMBL2653894 0.89 FFAR1 (0.48) PPARDGCGRMEN1KMT2AS1PR1
SCHEMBL2653662 0.88 MEN1 (0.55) GCGRMEN1KMT2ARHOCRHOA
SCHEMBL2654122 0.88 MEN1 (0.55) GCGRMEN1KMT2ARHOCRHOA
SCHEMBL2661613 0.88 MEN1 (0.55) GCGRMEN1KMT2ARHOCRHOA
SCHEMBL2654985 0.88 MEN1 (0.55) GCGRMEN1KMT2ARHOCRHOA
SCHEMBL2653574 0.88 MEN1 (0.55) GCGRMEN1KMT2ARHOCRHOA
SCHEMBL2652886 0.88 MEN1 (0.55) GCGRMEN1KMT2ARHOCRHOA

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed