SCHEMBL2654517

SCHEMBL2654517

O=C(O)CCNC(=O)c1ccc(CCCCCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.57
GIPR P48546 5/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2C9 P11712 1/20 0.53
KCNH2 Q12809 1/20 0.53
S1PR1 P21453 3/20 0.53
S1PR3 Q99500 1/20 0.53
S1PR5 Q9H228 1/20 0.53
TRPV1 Q8NER1 1/20 0.50
ADCY6 O43306 1/20 0.50
ADCY3 O60266 1/20 0.50
ADCY9 O60503 1/20 0.50
ADCY5 O95622 1/20 0.50
ADCY8 P40145 1/20 0.50
ADCY7 P51828 1/20 0.50
ADCY2 Q08462 1/20 0.50
ADCY1 Q08828 1/20 0.50
ADCY4 Q8NFM4 1/20 0.50

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
SCHEMBL2655109 1.00 GCGR (0.57) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2652235 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2653574 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2654583 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2654985 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2661613 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2653662 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2652886 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2654122 0.91 MEN1 (0.55) GCGRGIPRS1PR1S1PR3S1PR5
SCHEMBL2653745 0.90 GCGR (0.49) GCGRTRPV1

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-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