SCHEMBL8790284

SCHEMBL8790284

C[C@@H](O)CNC(C)(C)CC(=O)N[C@H](CCc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.39
NFKB1 P19838 5/20 0.39
NFKB2 Q00653 5/20 0.39
RELA Q04206 5/20 0.39
NPY1R P25929 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP8 P22894 6/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MMP1 P03956 1/20 0.34
FCER2 P06734 1/20 0.34
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8790274 1.00 PSMB5 (0.39) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8789381 0.96 NPY1R (0.41) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8789373 0.96 NPY1R (0.41) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8790289 0.93 PSMB5 (0.38) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL9421629 0.89 CTSS (0.39) NPY1RCTSSMMP1F2MMP9
SCHEMBL9421632 0.89 CTSS (0.39) NPY1RCTSSMMP1F2MMP9
SCHEMBL8789058 0.89 NPY1R (0.39) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8790228 0.88 PSMB5 (0.41) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8791072 0.86 PSMB5 (0.44) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL9421648 0.86 PSMB5 (0.44) PSMB5NFKB1NFKB2RELANPY1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669830-A4 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1997-02-26 EP claimed
EP-0669830-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-09-06 EP claimed
WO-1994011012-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-05-26 WO claimed
WO-1994011012-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-05-26 WO disclosed