SCHEMBL5039159

SCHEMBL5039159

CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCC3CCCCC3)CC2)c(F)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.79
SLC6A5 Q9Y345 10/20 0.79
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 5/20 0.55
THRB P10828 1/20 0.49
HPGD P15428 2/20 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
SCHEMBL3917817 0.96 SLC6A9 (0.76) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL3922545 0.88 SLC6A5 (1.00) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL3928603 0.88 SLC6A9 (0.98) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL3928642 0.87 SLC6A9 (0.81) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL5047145 0.86 SLC6A9 (0.79) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL5039462 0.86 SLC6A9 (0.79) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL3921678 0.86 SLC6A9 (0.95) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL5046645 0.86 SLC6A9 (0.92) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL3921817 0.85 SLC6A9 (0.79) SLC6A9SLC6A5MAPTMEN1KMT2A
SCHEMBL5043046 0.84 SLC6A9 (1.00) SLC6A9SLC6A5MAPTMEN1KMT2A

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
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed