SCHEMBL2827210

SCHEMBL2827210

Nc1ccc(N2CCN(C(=O)CNC(=O)c3cccc(OCCF)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.52
MAPT P10636 7/20 0.48
POLB P06746 1/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.46
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2827204 0.91 KMT2A (0.53) KMT2AGAAMAPTPOLBNPC1
SCHEMBL2306331 0.87 MAPT (0.60) KMT2AGAAMAPTPOLBHTR1A
SCHEMBL12206693 0.87 MAPT (0.60) KMT2AGAAMAPTPOLBHTR1A
SCHEMBL2309885 0.86 MAPT (0.59) KMT2AGAAMAPTPOLBNPC1
SCHEMBL12206689 0.86 MAPT (0.59) KMT2AGAAMAPTPOLBNPC1
SCHEMBL2311978 0.84 KMT2A (0.58) KMT2AGAAMAPTPOLBKDM4E
SCHEMBL12206741 0.84 KMT2A (0.61) KMT2AGAAMAPTPOLBNPC1
SCHEMBL2308239 0.84 KMT2A (0.61) KMT2AGAAMAPTPOLBNPC1
SCHEMBL12206658 0.83 MAPT (0.49) KMT2AGAAMAPTPOLBNPC1
SCHEMBL2313173 0.82 MAPT (0.56) KMT2AGAAMAPTPOLBNPC1

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
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 WO disclosed
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 EP disclosed