SCHEMBL8528634

SCHEMBL8528634

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.37
NPY4R P50391 2/20 0.36
NPY5R Q15761 1/20 0.36
TPSAB1 Q15661 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8528714 0.91 TPSAB1 (0.38) NPY1RNPY4RNPY5RTPSAB1MEN1
SCHEMBL8112784 0.89 CNR1 (0.41)
SCHEMBL8526447 0.89 TPSAB1 (0.37) NPY1RNPY4RNPY5RTPSAB1MEN1
SCHEMBL8120085 0.88 CNR1 (0.36) NPY1RTPSAB1MEN1KMT2A
SCHEMBL8122513 0.88 HDAC3 (0.37) NPY1R
SCHEMBL8127029 0.88 NPY1R (0.41) NPY1RNPY4RNPY5R
SCHEMBL8113195 0.87 CNR1 (0.34) NPY1R
SCHEMBL8112714 0.87 MEN1 (0.42) MEN1KMT2A
SCHEMBL8126149 0.87 TDP1 (0.45) NPY1RMEN1KMT2A
SCHEMBL8122704 0.87 TPSAB1 (0.36) NPY1RTPSAB1

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