SCHEMBL5486561

SCHEMBL5486561

O=CCc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C3CC3)CC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A5 Q9Y345 11/20 0.53
SLC6A9 P48067 11/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.47
IDE P14735 1/20 0.46

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
SCHEMBL6011895 0.89 POLB (0.68) POLBMEN1KMT2ALMNAMAPT
SCHEMBL5394474 0.87 SLC6A9 (0.68) POLBMEN1KMT2ALMNAMAPT
SCHEMBL6024299 0.86 SLC6A9 (0.58) POLBMEN1KMT2ALMNAMAPT
SCHEMBL5399449 0.86 SLC6A9 (0.70) POLBMEN1KMT2ALMNAMAPT
SCHEMBL6024909 0.86 SLC6A9 (0.70) POLBMEN1KMT2ALMNAMAPT
SCHEMBL6011826 0.86 POLB (0.57) POLBMEN1KMT2ALMNAMAPT
SCHEMBL6011857 0.85 SLC6A9 (0.59) POLBMEN1KMT2ALMNAMAPT
SCHEMBL5397289 0.84 SLC6A9 (0.71) SLC6A5SLC6A9IDE
SCHEMBL6031348 0.84 POLB (0.57) POLBMEN1KMT2ALMNAMAPT
SCHEMBL5405733 0.84 SLC6A5 (0.56) POLBMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505062-A 2007-03-08 JP claimed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 EP claimed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO claimed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 EP disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed