SCHEMBL8526447

SCHEMBL8526447

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNC(=O)NCC(=O)O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.37
NPY1R P25929 9/20 0.36
PPIB P23284 1/20 0.36
CASR P41180 1/20 0.36
EPHX2 P34913 1/20 0.35
NPY4R P50391 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
NPY5R Q15761 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 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
Trifluoroacetic Acid SCHEMBL8527977 0.95 NPY1R (0.43) NPY1R
SCHEMBL6900118 0.91 NPY1R (0.40) TPSAB1NPY1RCASREPHX2MEN1
SCHEMBL8528714 0.90 TPSAB1 (0.38) TPSAB1NPY1RCASRNPY4RMEN1
SCHEMBL6897697 0.90 TPSAB1 (0.38) TPSAB1NPY1RCASRMEN1KMT2A
SCHEMBL7059809 0.90 NPY1R (0.42) TPSAB1NPY1RNPY4RMEN1KMT2A
SCHEMBL6899868 0.90 NPY1R (0.42) TPSAB1NPY1RNPY4RMEN1KMT2A
SCHEMBL6895115 0.89 PPID (0.48) NPY1RPPIBCASRMEN1KMT2A
SCHEMBL7123147 0.89 PPID (0.48) NPY1RPPIBCASRMEN1KMT2A
SCHEMBL8528634 0.89 NPY1R (0.37) TPSAB1NPY1RNPY4RMEN1KMT2A
SCHEMBL8528076 0.88 TPSAB1 (0.39) TPSAB1NPY1RMEN1KMT2APOLB

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