SCHEMBL7540356

SCHEMBL7540356

CC(=O)Nc1ccccc1N1CCN(C2Cc3cc([N+](=O)[O-])ccc3CC2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
SLC18A3 Q16572 2/20 0.49
WDR5 P61964 6/20 0.48
GAA P10253 4/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP2D6 P10635 2/20 0.48
HTR1A P08908 1/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7540353 1.00 MAPT (0.52) MAPTKMT2AMEN1SLC18A3WDR5
SCHEMBL7540266 0.85 SLC18A3 (0.47) KMT2AMEN1SLC18A3GAAALDH1A1
SCHEMBL7540271 0.85 SLC18A3 (0.47) KMT2AMEN1SLC18A3GAAALDH1A1
SCHEMBL7540276 0.85 SLC18A3 (0.47) KMT2AMEN1SLC18A3GAAALDH1A1
SCHEMBL7537520 0.84 SLC18A3 (0.46) KMT2AMEN1SLC18A3GAAPOLB
SCHEMBL7540313 0.84 SLC18A3 (0.46) KMT2AMEN1SLC18A3GAAPOLB
SCHEMBL7540315 0.84 SLC18A3 (0.46) KMT2AMEN1SLC18A3GAAPOLB
SCHEMBL7540751 0.81 SLC18A3 (0.54) MAPTKMT2AMEN1SLC18A3GAA
SCHEMBL7540756 0.81 SLC18A3 (0.54) MAPTKMT2AMEN1SLC18A3GAA
SCHEMBL7538963 0.78 SLC18A3 (0.55) MAPTKMT2AMEN1SLC18A3WDR5

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-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed