SCHEMBL4423452

SCHEMBL4423452

CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(=O)O)CC2)c(F)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 11/20 0.80
SLC6A9 P48067 12/20 0.79
MAPT P10636 2/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 2/20 0.64
THRB P10828 1/20 0.59
HPGD P15428 1/20 0.56

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
SCHEMBL4423457 1.00 SLC6A5 (0.80) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3927563 0.91 SLC6A5 (0.85) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL4422454 0.89 SLC6A5 (0.76) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL5045283 0.89 SLC6A9 (0.94) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL4422974 0.89 SLC6A5 (0.81) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3921674 0.89 SLC6A5 (0.98) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3917801 0.88 SLC6A5 (1.00) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3923755 0.88 SLC6A9 (0.85) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL1689566 0.88 SLC6A5 (1.00) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL4424949 0.88 SLC6A5 (0.80) SLC6A5SLC6A9MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed