SCHEMBL2653359

SCHEMBL2653359

CC(=O)c1ccc(-c2ccc(OCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.55
NPC1 O15118 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 3/20 0.55
S1PR3 Q99500 3/20 0.54
S1PR5 Q9H228 1/20 0.54
FFAR1 O14842 1/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL2654170 0.91 NPC1 (0.64) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2653847 0.90 NPC1 (0.57) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2654702 0.89 NPC1 (0.58) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2655124 0.88 NPC1 (0.57) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2655220 0.88 NPC1 (0.57) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2656581 0.88 NPC1 (0.57) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2654629 0.88 GCG (0.55) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2662580 0.88 S1PR1 (0.56) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2654580 0.88 S1PR1 (0.56) S1PR1NPC1MEN1KMT2ARAB9A
SCHEMBL2651560 0.87 S1PR1 (0.62) S1PR1NPC1MEN1KMT2ARAB9A

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