SCHEMBL861492

SCHEMBL861492

O=C1NCC2CN(C(=O)O)CC2c2ccc(-c3cccc(CCO)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.40
BACE1 P56817 1/20 0.36
SLC5A1 P13866 14/20 0.33
PARP1 P09874 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL1803941 0.86 USP30 (0.41) SLC5A1
SCHEMBL1803943 0.86 USP30 (0.41) SLC5A1
SCHEMBL860923 0.86 BACE1 (0.41) ACMSDBACE1SLC5A1
SCHEMBL860924 0.86 BACE1 (0.41) ACMSDBACE1SLC5A1
SCHEMBL2599154 0.81 RORC (0.37) PARP1HCRTR1HCRTR2
SCHEMBL2598841 0.81 ACMSD (0.39) ACMSDBACE1SLC5A1PARP1HCRTR1
SCHEMBL861829 0.81 HDAC2 (0.40) PARP1
SCHEMBL1805585 0.81 ACMSD (0.39) ACMSDBACE1SLC5A1PARP1HCRTR1
SCHEMBL1805583 0.81 ACMSD (0.39) ACMSDBACE1SLC5A1PARP1HCRTR1
SCHEMBL2598843 0.81 ACMSD (0.39) ACMSDBACE1SLC5A1PARP1HCRTR1

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed