SCHEMBL2654768

SCHEMBL2654768

O=C(O)CCNC(=O)c1ccc(CCCCCCOc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.66
S1PR3 Q99500 3/20 0.66
S1PR5 Q9H228 1/20 0.66
FFAR1 O14842 3/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MAPT P10636 2/20 0.58

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
SCHEMBL2653298 0.95 FFAR1 (0.60) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2657107 0.92 S1PR1 (0.66) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654437 0.91 S1PR1 (0.55) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2656088 0.91 S1PR1 (0.55) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2655880 0.91 NPC1 (0.56) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654665 0.91 FFAR1 (0.59) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2655192 0.90 NPC1 (0.60) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654896 0.90 S1PR1 (0.60) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654015 0.89 MEN1 (0.54) S1PR1S1PR3S1PR5FFAR1MEN1
SCHEMBL2654572 0.89 NR4A2 (0.56) S1PR1S1PR3S1PR5MEN1KMT2A

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