SCHEMBL2654580

SCHEMBL2654580

O=C(O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(-c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.56
S1PR3 Q99500 3/20 0.56
S1PR5 Q9H228 1/20 0.56
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
FFAR1 O14842 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MCHR1 Q99705 2/20 0.50
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LTA4H P09960 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2656088 0.93 S1PR1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2654583 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2661613 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2652235 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2653574 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2653662 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2654122 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2654985 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2652886 0.89 MEN1 (0.55) S1PR1S1PR3S1PR5RAB9ANPC1
SCHEMBL2662580 0.89 S1PR1 (0.56) S1PR1S1PR3S1PR5RAB9ANPC1

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