SCHEMBL2652886

SCHEMBL2652886

O=C(O)CCNC(=O)c1ccc(OCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 3/20 0.54
S1PR5 Q9H228 1/20 0.54
FFAR1 O14842 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
FFAR4 Q5NUL3 1/20 0.48
EPHX2 P34913 1/20 0.48
GCGR P47871 3/20 0.48
GIPR P48546 1/20 0.48
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2652235 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2654583 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2661613 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2654122 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2653662 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2653574 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2654985 1.00 MEN1 (0.55) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2651906 0.99 MEN1 (0.56) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2655721 0.99 MEN1 (0.56) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL2652593 0.96 MEN1 (0.57) MEN1KMT2AS1PR1S1PR3S1PR5

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed