SCHEMBL8528534

SCHEMBL8528534

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.38
F2 P00734 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CTSK P43235 2/20 0.35
HDAC1 Q13547 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
NTSR1 P30989 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY4R P50391 1/20 0.32
PRSS1 P07477 1/20 0.32

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
SCHEMBL7042436 0.90 NPY1R (0.40) NPY1RF2POLBNPY4R
SCHEMBL8126826 0.88 CNR1 (0.37) NPY1RF2MAPTNPSR1PRSS1
SCHEMBL8119276 0.87 MEN1 (0.38) NPY1RF2MEN1KMT2AMAPT
SCHEMBL8528491 0.86 NPY1R (0.35) NPY1RF2MEN1KMT2AMAPT
SCHEMBL8124247 0.86 NPY1R (0.42) NPY1RF2NPY4R
SCHEMBL8111890 0.86 NPY1R (0.35) NPY1RF2MEN1KMT2AMAPT
SCHEMBL8120508 0.86 F2 (0.38) NPY1RF2HDAC1MEN1KMT2A
SCHEMBL8112969 0.86 F2 (0.36) NPY1RF2MEN1KMT2AMAPT
SCHEMBL7037398 0.86 MAPT (0.36) NPY1RF2HDAC1MEN1KMT2A
SCHEMBL8120178 0.86 NPY1R (0.36) NPY1RF2MEN1KMT2AMAPT

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