SCHEMBL13465510

SCHEMBL13465510

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.56
▸ ME2 P23368 8/20 0.51
▸ ME1 P48163 8/20 0.51
▸ ME3 Q16798 8/20 0.51
▸ MAPT P10636 7/20 0.50
▸ LMNA P02545 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL12206782 0.88 GAA (0.58) GAAME2ME1ME3MAPT
SCHEMBL3801230 0.78 ME2 (0.61) GAAME2ME1ME3MAPT
SCHEMBL6905218 0.77 KMT2A (0.60) ME2ME1ME3MAPTLMNA
SCHEMBL381360 0.76 MAPT (0.68) GAAME2ME1ME3MAPT
SCHEMBL17590071 0.76 MAPT (0.50) GAAME2ME1ME3MAPT
SCHEMBL13279526 0.73 MAPT (0.64) GAAMAPTLMNAKDM4EKMT2A
SCHEMBL2308072 0.73 SIGMAR1 (0.59) GAAME2ME1ME3MAPT
SCHEMBL14452826 0.72 RAB9A (0.62) MAPTLMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL13281422 0.72 MAPT (0.62) GAAMAPTLMNAKDM4EKMT2A
SCHEMBL9396856 0.72 MAPT (0.62) GAAMAPTLMNAKDM4EKMT2A

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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