SCHEMBL9199382

SCHEMBL9199382

NCCC[C@H](NC(N)=N[N+](=O)[O-])C(=O)NCc1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ NPY1R P25929 10/20 0.37
▸ NPY5R Q15761 3/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.34
▸ PADI6 Q6TGC4 1/20 0.34
▸ NPY4R P50391 2/20 0.33
▸ FURIN P09958 1/20 0.33
▸ PADI4 Q9UM07 3/20 0.33
▸ NPFFR1 Q9GZQ6 2/20 0.33
▸ NPFFR2 Q9Y5X5 2/20 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
SCHEMBL9199366 0.84 TLR2 (0.33) —
SCHEMBL8126777 0.81 PADI6 (0.48) NPY1RPADI6PADI4
SCHEMBL8122653 0.80 PADI6 (0.42) PADI6PADI4
SCHEMBL9284142 0.80 PADI6 (0.42) PADI6PADI4
SCHEMBL9285714 0.80 NPY1R (0.54) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL8112793 0.80 NPY1R (0.54) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL8115106 0.80 CA2 (0.44) CA1CA2NPY1R
SCHEMBL8126577 0.79 NPY1R (0.44) NPY1RNPY5RNPY2RPADI6NPY4R
SCHEMBL9280771 0.79 NPY1R (0.44) NPY1RNPY5RNPY2RPADI6NPY4R
SCHEMBL8112071 0.79 MMP2 (0.39) CA1CA2

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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