SCHEMBL6024909

SCHEMBL6024909

O=CCc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.70
SLC6A5 Q9Y345 10/20 0.70
ALDH1A1 P00352 5/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
HPGD P15428 1/20 0.66
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
IDE P14735 1/20 0.53

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
SCHEMBL5399449 1.00 SLC6A9 (0.70) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL5394474 0.99 SLC6A9 (0.68) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL5399614 0.92 SLC6A9 (0.67) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL6011895 0.91 POLB (0.68) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL5397289 0.91 SLC6A9 (0.71) SLC6A9SLC6A5SMN1; SMN2IDE
SCHEMBL5401512 0.91 SLC6A9 (0.65) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL5401613 0.90 SLC6A9 (0.57) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL6024299 0.89 SLC6A9 (0.58) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL5393966 0.89 SLC6A9 (0.59) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL6011826 0.89 POLB (0.57) SLC6A9SLC6A5ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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