SCHEMBL7041569

SCHEMBL7041569

NC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2cccc(C(N)=NO)c2)C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
NPY1R P25929 2/20 0.37
NPY4R P50391 2/20 0.37
NPY5R Q15761 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC1 Q13547 1/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
ROCK2 O75116 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PLAU P00749 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
SCHEMBL8526076 0.90 BMP1 (0.39) HDAC6HDAC1F2F10PRSS1
SCHEMBL8526765 0.89 F10 (0.45) PPARGF2F10PRSS1
SCHEMBL8121972 0.89 TRPM8 (0.38) PPARGTRPM8HDAC8MEN1KMT2A
SCHEMBL7039830 0.85 MAOA (0.39) NPY1RNPY4RNPY5R
SCHEMBL8525743 0.80 F10 (0.39) F2F10PRSS1
SCHEMBL8525704 0.79 F10 (0.44) F2F10PRSS1PLAU
SCHEMBL8121716 0.79 SLC6A4 (0.43) PPARGTRPM8MEN1KMT2A
SCHEMBL8529359 0.79 NPY1R (0.37) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL6900983 0.78 PRSS1 (0.41) TRPM8F2F10PRSS1MEN1
SCHEMBL7058207 0.78 PRSS1 (0.41) TRPM8F2F10PRSS1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed