SCHEMBL8529359

SCHEMBL8529359

NC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2ccc(N)c([N+](=O)[O-])c2)C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.37
NPY4R P50391 2/20 0.37
NPY5R Q15761 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MC4R P32245 1/20 0.34
GAA P10253 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL8526765 0.80 F10 (0.45)
SCHEMBL7039830 0.79 MAOA (0.39) NPY1RNPY4RNPY5R
SCHEMBL7041569 0.79 PPARG (0.39) NPY1RNPY4RNPY5RPOLBMEN1
SCHEMBL8112717 0.76 MAPT (0.44) POLBMAPTMEN1KMT2AHTT
SCHEMBL8119902 0.76 ALDH1A1 (0.39) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL7042436 0.76 NPY1R (0.40) NPY1RNPY4RNPY5RPOLB
SCHEMBL8121799 0.74 MAPT (0.45) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL8527836 0.74 NPY1R (0.43) NPY1RNPY4RNPY5RPOLBMEN1
SCHEMBL6899868 0.73 NPY1R (0.42) NPY1RNPY4RNPY5RPOLBMEN1
SCHEMBL7059809 0.73 NPY1R (0.42) NPY1RNPY4RNPY5RPOLBMEN1

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