SCHEMBL4725335

SCHEMBL4725335

O=C(O)N1CCCCC1[C@@H](O)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A9 P48067 2/20 0.36
FABP4 P15090 1/20 0.36
TACR1 P25103 2/20 0.35
FFAR1 O14842 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4778947 1.00 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4725332 1.00 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4779028 1.00 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4782223 0.88 NR1H3 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4779200 0.87 CXCR2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4725421 0.83 POLB (0.48)
SCHEMBL4777083 0.83 POLB (0.48)
SCHEMBL4725427 0.83 POLB (0.48)
SCHEMBL4777088 0.83 POLB (0.48)
SCHEMBL3517415 0.81 HSD17B2 (0.45) SLC6A9TACR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed