SCHEMBL8528491

SCHEMBL8528491

NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.35
F2 P00734 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPOR P19235 1/20 0.32
NPY4R P50391 1/20 0.31

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
SCHEMBL8126826 0.94 CNR1 (0.37) NPY1RF2CNR1CNR2MAPT
SCHEMBL8120508 0.93 F2 (0.38) NPY1RF2CNR1CNR2MAPT
SCHEMBL8111890 0.93 NPY1R (0.35) NPY1RF2CNR1CNR2MAPT
SCHEMBL8124247 0.93 NPY1R (0.42) NPY1RF2CNR1CNR2NPY4R
SCHEMBL8125954 0.92 CNR1 (0.39) NPY1RF2CNR1CNR2MAPT
SCHEMBL8127055 0.92 CNR1 (0.39) NPY1RF2CNR1CNR2MAPT
SCHEMBL8126766 0.92 TDP1 (0.43) NPY1RF2CNR1CNR2MAPT
SCHEMBL8119276 0.92 MEN1 (0.38) NPY1RF2CNR1CNR2MAPT
SCHEMBL7037385 0.92 MAPT (0.36) NPY1RF2CNR1CNR2MAPT
SCHEMBL8126099 0.92 CNR1 (0.42) NPY1RCNR1CNR2MAPTHTT

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed