SCHEMBL8528689

SCHEMBL8528689

N=C(N)NCCC[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc(CNC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.46
NPY4R P50391 5/20 0.44
NPY5R Q15761 4/20 0.44
MCHR1 Q99705 2/20 0.44
NPY2R P49146 1/20 0.41
PADI6 Q6TGC4 1/20 0.41
FURIN P09958 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8525686 0.84 NPY1R (0.52) NPY1RNPY4RNPY5RNPY2R
Acetic Acid SCHEMBL8526885 0.80 NPY1R (0.51) NPY1RNPY4RNPY5RNPY2R
SCHEMBL7751922 0.80 NPY1R (0.49) NPY1RNPY4RNPY5RNPY2R
SCHEMBL4650743 0.79 NPY1R (0.61) NPY1RNPY4RNPY5RNPY2R
SCHEMBL7038160 0.78 NPY1R (0.61) NPY1RNPY4RNPY5RMCHR1NPY2R
SCHEMBL8585841 0.78 KMT2A (0.50) NPY1RNPY4RNPY5RMCHR1
SCHEMBL8526187 0.78 MCHR1 (0.60) NPY1RNPY4RNPY5RMCHR1PADI6
SCHEMBL7059807 0.78 NPY1R (0.71) NPY1RNPY4RNPY5RMCHR1NPY2R
SCHEMBL6899864 0.78 NPY1R (0.71) NPY1RNPY4RNPY5RMCHR1NPY2R
SCHEMBL16181256 0.77 NPY1R (0.58) NPY1RFURIN

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