SCHEMBL3801230

SCHEMBL3801230

O=C(O)NCC(=O)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 8/20 0.61
▸ ME1 P48163 8/20 0.61
▸ ME3 Q16798 8/20 0.61
▸ GAA P10253 7/20 0.60
▸ MAPT P10636 7/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12206782 0.80 GAA (0.58) ME2ME1ME3GAAMAPT
SCHEMBL13465510 0.78 GAA (0.56) ME2ME1ME3GAAMAPT
SCHEMBL14524661 0.78 MAPT (0.67) ME2ME1ME3GAAMAPT
SCHEMBL10981623 0.78 ME2 (0.64) ME2ME1ME3GAAMAPT
SCHEMBL3466014 0.77 TDP1 (0.64) ME2ME1ME3GAAMAPT
SCHEMBL23244396 0.76 ME2 (0.86) ME2ME1ME3GAAMAPT
SCHEMBL23244223 0.76 ME3 (1.00) ME2ME1ME3GAAMAPT
SCHEMBL27936730 0.75 TDP1 (0.66) ME2ME1ME3GAAMAPT
SCHEMBL2312607 0.74 GAA (0.61) ME2ME1ME3GAAMAPT
SCHEMBL2312088 0.74 GAA (0.61) ME2ME1ME3GAAMAPT

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
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 — — WO disclosed
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