SCHEMBL8526149

SCHEMBL8526149

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.54
F10 P00742 5/20 0.54
PRSS1 P07477 4/20 0.54
CTSB P07858 6/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
F7 P08709 1/20 0.50
KLKB1 P03952 2/20 0.49
PLG P00747 1/20 0.49
PROC P04070 1/20 0.49
NPY1R P25929 4/20 0.48
NPY4R P50391 2/20 0.48
NPY5R Q15761 2/20 0.48
NPFFR1 Q9GZQ6 2/20 0.47
NPFFR2 Q9Y5X5 2/20 0.47
KLK1 P06870 1/20 0.47

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
SCHEMBL7798487 0.91 NPY1R (0.57) F2F10PRSS1CTSBTMPRSS6
SCHEMBL7058205 0.91 NPY1R (0.57) F2F10PRSS1CTSBTMPRSS6
SCHEMBL7802851 0.88 F2 (0.54) F2F10PRSS1CTSBTMPRSS6
SCHEMBL7751906 0.85 CTSB (0.49) F2F10PRSS1CTSBTMPRSS6
SCHEMBL8528337 0.84 CTSB (0.57) CTSBCTSLCTSSKLKB1NPY1R
SCHEMBL7750594 0.83 KLKB1 (0.53) F2F10PRSS1CTSBCTSL
SCHEMBL8121714 0.83 NPY1R (0.59) CTSBCTSLCTSSNPY1RNPY4R
SCHEMBL7802954 0.81 NPY1R (0.61) F2CTSBTMPRSS6CTSLCTSS
SCHEMBL4652020 0.80 F7 (0.54) F2F10PRSS1TMPRSS6CTSL
SCHEMBL8121971 0.80 NPY1R (0.58) CTSBCTSLCTSSNPY1RNPY4R

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