SCHEMBL2652820

SCHEMBL2652820

O=C(O)CCNC(=O)c1ccc(OCCCCCCc2ccc(-c3ccccc3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.54
S1PR3 Q99500 3/20 0.54
S1PR5 Q9H228 1/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FFAR1 O14842 2/20 0.50
GCG P01275 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PTAFR P25105 1/20 0.47
HPGDS O60760 1/20 0.47
LTA4H P09960 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
HDAC1 Q13547 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
SCHEMBL2651512 0.91 GCG (0.51) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2651800 0.91 CASP3 (0.53) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2651753 0.91 GCG (0.49) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2653154 0.91 GCG (0.53) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2651554 0.91 SMN1; SMN2 (0.58) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2653041 0.90 GCGR (0.49) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2651638 0.90 GCGR (0.49) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2653579 0.90 NPC1 (0.50) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2651583 0.90 GCGR (0.49) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL2652475 0.90 GCGR (0.49) S1PR1S1PR3S1PR5NPC1RAB9A

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