SCHEMBL5397289

SCHEMBL5397289

O=CCc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.71
SLC6A5 Q9Y345 15/20 0.71
SMN1; SMN2 Q16637 1/20 0.67
IDE P14735 1/20 0.67
PAX8 Q06710 1/20 0.65

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
SCHEMBL5394467 0.92 SLC6A9 (0.68) SLC6A9SLC6A5SMN1; SMN2IDEPAX8
SCHEMBL5394474 0.92 SLC6A9 (0.68) SLC6A9SLC6A5SMN1; SMN2IDEPAX8
SCHEMBL5399449 0.91 SLC6A9 (0.70) SLC6A9SLC6A5SMN1; SMN2IDE
SCHEMBL6024909 0.91 SLC6A9 (0.70) SLC6A9SLC6A5SMN1; SMN2IDE
SCHEMBL6024889 0.91 IDE (0.82) SLC6A9SLC6A5SMN1; SMN2IDEPAX8
SCHEMBL6011895 0.89 POLB (0.68) SLC6A9SLC6A5SMN1; SMN2IDE
SCHEMBL6024299 0.87 SLC6A9 (0.58) SLC6A9SLC6A5SMN1; SMN2IDE
SCHEMBL6011826 0.87 POLB (0.57) SLC6A9SLC6A5IDE
SCHEMBL3921080 0.86 SLC6A9 (0.79) SLC6A9SLC6A5SMN1; SMN2IDEPAX8
SCHEMBL6011857 0.86 SLC6A9 (0.59) SLC6A9SLC6A5

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