SCHEMBL8528076

SCHEMBL8528076

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.39
NPY1R P25929 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
RORC P51449 1/20 0.36
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.35

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 SCHEMBL7043313 0.95 NPY1R (0.44) NPY1R
SCHEMBL6899868 0.92 NPY1R (0.42) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL7059809 0.92 NPY1R (0.42) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL6897697 0.91 TPSAB1 (0.38) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL8526278 0.91 NPY1R (0.39) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL1389118 0.90 CNR1 (0.41) TPSAB1MEN1KMT2ATDP1
SCHEMBL30905434 0.90 CNR1 (0.41) TPSAB1MEN1KMT2ATDP1
SCHEMBL6900118 0.90 NPY1R (0.40) TPSAB1NPY1RMEN1KMT2A
SCHEMBL7750677 0.90 TPSAB1 (0.37) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL7750689 0.89 MEN1 (0.42) MEN1KMT2ATDP1

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 claimed
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 claimed