SCHEMBL2654896

SCHEMBL2654896

O=C(O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.60
S1PR3 Q99500 3/20 0.60
S1PR5 Q9H228 1/20 0.60
FFAR1 O14842 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ESRRG P62508 1/20 0.51
ESR1 P03372 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.49
CNR2 P34972 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL2657107 0.90 S1PR1 (0.66) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654768 0.90 S1PR1 (0.66) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2656631 0.89 NPC1 (0.67) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654883 0.89 NPC1 (0.67) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2653059 0.88 NPC1 (0.53) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL2654665 0.88 FFAR1 (0.59) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2655880 0.88 NPC1 (0.56) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2656088 0.88 S1PR1 (0.55) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654437 0.88 S1PR1 (0.55) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2653298 0.87 FFAR1 (0.60) S1PR1S1PR3S1PR5FFAR1MEN1

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