SCHEMBL6024952

SCHEMBL6024952

CCC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)c(F)c1.CCC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC2)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
MAPT P10636 6/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
POLB P06746 2/20 0.76
LMNA P02545 2/20 0.76
MAPK1 P28482 1/20 0.76
SLC6A5 Q9Y345 7/20 0.70
SLC6A9 P48067 6/20 0.70
GAA P10253 1/20 0.63
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.55
HTT P42858 2/20 0.54

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
SCHEMBL3917331 0.97 ALDH1A1 (0.82) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3931679 0.94 ALDH1A1 (0.88) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3923416 0.93 ALDH1A1 (0.86) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3929006 0.88 SLC6A5 (0.81) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3919658 0.88 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL27859063 0.87 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL4424938 0.86 MAPT (1.00) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3931280 0.86 ALDH1A1 (0.83) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3921674 0.84 SLC6A5 (0.98) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1689566 0.83 SLC6A5 (1.00) ALDH1A1MAPTMEN1KMT2APOLB

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