SCHEMBL2654059

SCHEMBL2654059

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)cc2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.50
GIPR P48546 3/20 0.46
PPARD Q03181 2/20 0.45
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY5 O95622 1/20 0.44
ADCY8 P40145 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 1/20 0.44
GCG P01275 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
SCHEMBL2653536 0.92 GCGR (0.51) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2654679 0.92 PPARD (0.42) GCGRGIPRPPARD
SCHEMBL2653686 0.90 GCG (0.47) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2653527 0.90 GCGR (0.55) GCGRGIPRPPARDADCY6ADCY3
SCHEMBL2653550 0.89 GCGR (0.49) GCGRGIPRPPARDADCY6ADCY3
SCHEMBL2655409 0.86 GCGR (0.51) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2652643 0.85 GCGR (0.46) GCGRGIPRPPARD
SCHEMBL2653538 0.85 GCGR (0.51) GCGRGIPRGCG
SCHEMBL2656506 0.85 GCGR (0.43) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2653422 0.83 PPARD (0.51) GCGRPPARD

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