SCHEMBL8525686

SCHEMBL8525686

N=C(N)NCCC[C@@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCc1ccc(CNC(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.52
NPY4R P50391 10/20 0.52
NPY5R Q15761 9/20 0.52
NPY2R P49146 5/20 0.52
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
CHRND Q07001 2/20 0.48
NPFFR1 Q9GZQ6 2/20 0.46
NPFFR2 Q9Y5X5 2/20 0.46
GRIA1 P42261 1/20 0.46

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
Acetic Acid SCHEMBL8526885 0.96 NPY1R (0.51) NPY1RNPY4RNPY5RNPY2RCHRNA1
SCHEMBL4650743 0.93 NPY1R (0.61) NPY1RNPY4RNPY5RNPY2RCHRNA1
SCHEMBL7751922 0.88 NPY1R (0.49) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL7036808 0.86 NPY1R (0.61) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8528689 0.84 NPY1R (0.46) NPY1RNPY4RNPY5RNPY2R
SCHEMBL16181256 0.82 NPY1R (0.58) NPY1RCHRNA1CHRNGCHRNB1CHRND
SCHEMBL8112493 0.82 TRPV1 (0.57) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL8113561 0.81 NPY1R (0.56) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL7750688 0.80 MCHR1 (0.59) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL8119423 0.80 NPY1R (0.58) NPY1RNPY4RNPY5RNPY2RNPFFR1

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