SCHEMBL1111249

SCHEMBL1111249

CC(=O)NCC(C)c1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
MTNR1A P48039 12/20 0.41
MTNR1B P49286 11/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PTGFR P43088 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL1111317 0.81 PCSK9 (0.44) IRAK4ACACB
SCHEMBL2784760 0.80 STAT3 (0.40) IRAK4ACACB
SCHEMBL1111155 0.78 ADRB1 (0.52) NPSR1MTNR1AMTNR1BACACB
SCHEMBL16198036 0.74 IRAK4 (0.40) IRAK4
SCHEMBL15354786 0.73 IRAK4 (0.49) IRAK4
SCHEMBL16397013 0.73 STAT3 (0.42) IRAK4ALDH1A1HPGD
SCHEMBL2771153 0.73 IRAK4 (0.41) NPSR1IRAK4ALDH1A1HPGD
SCHEMBL16197565 0.73 IRAK4 (0.36) IRAK4HPGD
SCHEMBL1111000 0.72 TAAR1 (0.41) IRAK4
SCHEMBL906765 0.72 IRAK4 (0.39) IRAK4

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-2278968-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-02 EP disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO disclosed