SCHEMBL13465769

SCHEMBL13465769

C=C(COC(=O)c1ccnc(C)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.51
▸ SLC6A7 Q99884 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ KIT P10721 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ JMJD6 Q6NYC1 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
SCHEMBL13465512 0.92 MAPT (0.54) MAPTSLC6A7KDM4EALDH1A1NPSR1
SCHEMBL2310298 0.81 MAPT (0.54) MAPTSLC6A7KDM4EALDH1A1NPSR1
SCHEMBL2314529 0.81 MAPT (0.54) MAPTSLC6A7KDM4EALDH1A1NPSR1
SCHEMBL12206779 0.81 MAPT (0.54) MAPTSLC6A7KDM4EALDH1A1NPSR1
SCHEMBL20305868 0.74 JMJD6 (0.62) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL13465581 0.73 MAPT (0.55) MAPTSLC6A7KDM4EALDH1A1LMNA
SCHEMBL12206749 0.73 MAPT (0.77) MAPTSLC6A7KDM4EALDH1A1LMNA
SCHEMBL2307404 0.72 MAPK1 (0.62) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL23259361 0.71 SLC6A7 (0.60) MAPTSLC6A7KDM4EALDH1A1LMNA
SCHEMBL2312575 0.70 ME2 (0.64) MAPTSLC6A7KDM4EALDH1A1LMNA

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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