SCHEMBL4725326

SCHEMBL4725326

O[C@@H](c1ccc(-c2cccnc2)cc1)[C@@H]1CCCCN1CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.38
DAGLB Q8NCG7 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PTGES O14684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GHSR Q92847 1/20 0.38
CYP17A1 P05093 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADAM17 P78536 1/20 0.37
CHRNA7 P36544 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL4725329 0.86 OPRD1 (0.50) OPRD1DAGLBMKNK1MKNK2PTGES
SCHEMBL4725337 0.86 OPRD1 (0.50) OPRD1DAGLBMKNK1MKNK2PTGES
SCHEMBL8222689 0.82 CHRNB4 (0.48) KDM4EGHSRALDH1A1TDP1CHRNA7
SCHEMBL4781860 0.80 DAGLB (0.46) DAGLBMKNK1MKNK2PTGESKDM4E
SCHEMBL4781855 0.80 DAGLB (0.46) DAGLBMKNK1MKNK2PTGESKDM4E
SCHEMBL4781779 0.79 KIF11 (0.34) OPRD1PTGESKDM4EPOLBALDH1A1
SCHEMBL8224323 0.74 GPR119 (0.51) DAGLBPTGESKDM4EGHSRMEN1
SCHEMBL4781848 0.73 OPRD1 (0.53) OPRD1DAGLBPTGESGHSRCYP17A1
SCHEMBL4794880 0.73 OPRD1 (0.53) OPRD1DAGLBPTGESGHSRCYP17A1
SCHEMBL4834222 0.72 CYP1A2 (0.40) OPRD1KDM4EPOLBMEN1ALDH1A1

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