SCHEMBL5397290

SCHEMBL5397290

O=CCc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(CO)C3)CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.53
SLC6A5 Q9Y345 9/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.48
IDE P14735 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PAX8 Q06710 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
SCHEMBL6024299 0.88 SLC6A9 (0.58) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL5394474 0.87 SLC6A9 (0.68) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL5401613 0.87 SLC6A9 (0.57) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL5393966 0.86 SLC6A9 (0.59) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL5399449 0.86 SLC6A9 (0.70) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL6024909 0.86 SLC6A9 (0.70) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL3917302 0.86 SLC6A9 (0.73) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL27664260 0.85 SLC6A9 (0.52) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL6011895 0.85 POLB (0.68) SLC6A9SLC6A5ALDH1A1POLBMEN1
SCHEMBL5397289 0.84 SLC6A9 (0.71) SLC6A9SLC6A5IDESMN1; SMN2PAX8

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