SCHEMBL4775951

SCHEMBL4775951

O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 1/20 0.38
STS P08842 3/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL8220085 0.87 NPC1 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4725359 0.86 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4779559 0.77 HPGD (0.44) TDP1L3MBTL1ALDH1A1HSD11B1CA2
SCHEMBL5172182 0.77 MCL1 (0.46) ALDH1A1
SCHEMBL3088285 0.77 MCL1 (0.46) ALDH1A1
SCHEMBL20524450 0.77 POLB (0.51) L3MBTL1ALDH1A1HSD11B1HTT
SCHEMBL4779200 0.76 CXCR2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5733006 0.76 NPC1 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8219832 0.74 WNT3 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL440331 0.73 KDM4E (0.45) TDP1L3MBTL1

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