SCHEMBL6031348

SCHEMBL6031348

COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(CC=O)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC6A5 Q9Y345 13/20 0.55
SLC6A9 P48067 13/20 0.54
ALDH1A1 P00352 1/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 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
SCHEMBL6011895 0.89 POLB (0.68) POLBMEN1LMNAMAPTMAPK1
SCHEMBL5394474 0.87 SLC6A9 (0.68) POLBMEN1LMNAMAPTMAPK1
SCHEMBL5399449 0.86 SLC6A9 (0.70) POLBMEN1LMNAMAPTMAPK1
SCHEMBL6011826 0.86 POLB (0.57) POLBMEN1LMNAMAPTMAPK1
SCHEMBL6024909 0.86 SLC6A9 (0.70) POLBMEN1LMNAMAPTMAPK1
SCHEMBL6011857 0.85 SLC6A9 (0.59) POLBMEN1LMNAMAPTMAPK1
SCHEMBL6024299 0.85 SLC6A9 (0.58) POLBMEN1LMNAMAPTMAPK1
SCHEMBL5397289 0.84 SLC6A9 (0.71) SLC6A5SLC6A9
SCHEMBL4426478 0.84 SLC6A5 (0.77) POLBMEN1LMNAMAPTMAPK1
SCHEMBL5404747 0.84 SLC6A5 (0.60) POLBMEN1LMNAMAPTMAPK1

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-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed