SCHEMBL4725359

SCHEMBL4725359

O=C(c1cccc(OS(=O)(=O)C(F)(F)F)c1)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.41
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
KDM2B Q8NHM5 3/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8219832 0.88 WNT3 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4775951 0.86 TDP1 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4776118 0.82 KDM2B (0.51) KDM2B
SCHEMBL3515523 0.80 LMNA (0.53)
SCHEMBL3515528 0.80 LMNA (0.53)
SCHEMBL5339926 0.78 TDP1 (0.48) KDM4E
SCHEMBL4780546 0.78 CNR2 (0.41) PARP14PARP10KDM2BKDM4E
SCHEMBL4776003 0.77 MGLL (0.48)
SCHEMBL3088285 0.76 MCL1 (0.46)
SCHEMBL5172182 0.76 MCL1 (0.46)

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