SCHEMBL20117685

SCHEMBL20117685

N/C(=N\O)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)C(CO)N[S+]([O-])Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ NFKB2 Q00653 3/20 0.42
▸ RELA Q04206 3/20 0.42
▸ MASP2 O00187 3/20 0.42
▸ F2 P00734 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ NPY1R P25929 6/20 0.39
▸ NPY4R P50391 2/20 0.39
▸ NPY5R Q15761 2/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.38
▸ NPFFR2 Q9Y5X5 2/20 0.38
▸ MMP8 P22894 2/20 0.38

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
SCHEMBL20117686 0.89 F2 (0.52) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL8347873 0.82 F2 (0.49) MASP2F2MMP8
SCHEMBL18875317 0.81 F2 (0.49) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL17366097 0.81 F2 (0.49) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL20117449 0.80 MASP2 (0.43) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL20117569 0.79 MASP2 (0.43) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL20117448 0.79 F2 (0.55) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL16938447 0.78 MASP2 (0.42) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL20117568 0.77 F2 (0.49) PSMB5NFKB1NFKB2RELAMASP2
SCHEMBL18878673 0.77 F10 (0.50) PSMB5NFKB1NFKB2RELAMASP2

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-3160939-B1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS BV (NL) 2018-05-02 — — EP disclosed
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