SCHEMBL8147709

SCHEMBL8147709

N/C(=N/O)c1cccc(CC(NC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.45
NPFFR1 Q9GZQ6 2/20 0.45
NPFFR2 Q9Y5X5 2/20 0.45
NPY5R Q15761 1/20 0.45
F7 P08709 1/20 0.44
KLKB1 P03952 2/20 0.43
ANPEP P15144 1/20 0.42
CTSL P07711 1/20 0.42
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41

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
SCHEMBL8121971 0.89 NPY1R (0.58) NPY1RNPFFR1NPFFR2NPY5RCTSL
SCHEMBL4652020 0.89 F7 (0.54) NPY1RNPFFR1NPFFR2NPY5RF7
SCHEMBL8127200 0.88 CTSB (0.39) F7KLKB1ANPEPCTSLMMP1
SCHEMBL8121755 0.82 CTSB (0.46) KLKB1ANPEPCTSLMMP1FCER2
SCHEMBL7041564 0.79 CTSB (0.48) NPY1RNPFFR1NPFFR2NPY5RKLKB1
SCHEMBL8121714 0.79 NPY1R (0.59) NPY1RNPFFR1NPFFR2NPY5RCTSL
SCHEMBL7798487 0.77 NPY1R (0.57) NPY1RNPFFR1NPFFR2NPY5RF7
SCHEMBL7058205 0.77 NPY1R (0.57) NPY1RNPFFR1NPFFR2NPY5RF7
SCHEMBL8112148 0.74 F2 (0.52) NPY1RNPFFR1NPFFR2NPY5RF7
SCHEMBL11780493 0.72 CTSL (0.73) KLKB1ANPEPCTSLMMP1FCER2

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed