SCHEMBL8636367

SCHEMBL8636367

N=C(N)NCCC[C@H](C(N)=O)N(Cc1cccc(CNC(N)=O)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.38
NPY4R P50391 2/20 0.38
NPY5R Q15761 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
C3AR1 Q16581 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
TPSAB1 Q15661 1/20 0.34
NPY2R P49146 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
SCHEMBL8526750 0.94 NPY1R (0.38) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL7059809 0.92 NPY1R (0.42) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL6899868 0.92 NPY1R (0.42) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL7038757 0.91 NPY1R (0.38) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL1389118 0.89 CNR1 (0.41) MEN1KMT2ACNR1F10PRSS1
SCHEMBL30905434 0.89 CNR1 (0.41) MEN1KMT2ACNR1F10PRSS1
SCHEMBL9202543 0.89 MEN1 (0.38) NPY1RNPY4RNPY5RMEN1KMT2A
Trifluoroacetic Acid SCHEMBL649619 0.86 NPY1R (0.43) NPY1RNPY4RNPY5R
Trifluoroacetic Acid SCHEMBL7045238 0.86 NPY1R (0.43) NPY1RNPY4RNPY5R
SCHEMBL8527214 0.85 CNR1 (0.39) NPY1RNPY4RNPY5RMEN1KMT2A

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