SCHEMBL5404747

SCHEMBL5404747

CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(CC=O)cc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 11/20 0.60
SLC6A9 P48067 11/20 0.60
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.45

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 0.87 POLB (0.68) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL3921046 0.86 SLC6A9 (0.81) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL27643049 0.85 SLC6A5 (0.58) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL5394474 0.85 SLC6A9 (0.68) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL5399449 0.84 SLC6A9 (0.70) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL6024909 0.84 SLC6A9 (0.70) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL6011826 0.84 POLB (0.57) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL6031348 0.84 POLB (0.57) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL6011857 0.84 SLC6A9 (0.59) SLC6A5SLC6A9POLBMAPTMEN1
SCHEMBL27643048 0.83 SLC6A5 (0.59) SLC6A5SLC6A9POLBMAPTMEN1

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-2007505060-A 2007-03-08 JP claimed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP claimed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO claimed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed