SCHEMBL4782223

SCHEMBL4782223

CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 8/20 0.42
NR1H2 P55055 7/20 0.42
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
WNT3 P56703 2/20 0.38
SFRP1 Q8N474 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8222447 0.88 MEN1 (0.40) NR1H3NR1H2DRD2DRD1DRD4
SCHEMBL4778947 0.88 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4779028 0.88 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4725332 0.88 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4725335 0.88 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3443057 0.86 POLB (0.47) MEN1KMT2A
SCHEMBL8220796 0.86 POLB (0.47) MEN1KMT2A
SCHEMBL8220797 0.83 USP30 (0.48) NR1H3NR1H2MEN1KMT2A
SCHEMBL3442875 0.83 RIPK1 (0.45) NR1H3NR1H2MEN1KMT2A
SCHEMBL3443002 0.82 GPR119 (0.43) MEN1KMT2A

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