SCHEMBL8790289

SCHEMBL8790289

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 9/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
NFKB1 P19838 6/20 0.37
NFKB2 Q00653 6/20 0.37
RELA Q04206 6/20 0.37
NPY1R P25929 1/20 0.35
MMP8 P22894 3/20 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
PSMB8 P28062 1/20 0.33
DDR1 Q08345 1/20 0.32
MAPK14 Q16539 1/20 0.32
DDR2 Q16832 1/20 0.32
MASP2 O00187 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL8789058 0.96 NPY1R (0.39) PSMB5CTSSCTSKNFKB1NFKB2
SCHEMBL8790274 0.93 PSMB5 (0.39) PSMB5CTSSCTSKNFKB1NFKB2
SCHEMBL8790284 0.93 PSMB5 (0.39) PSMB5CTSSCTSKNFKB1NFKB2
SCHEMBL8791513 0.89 CTSS (0.40) CTSSMMP1F2
SCHEMBL8789381 0.89 NPY1R (0.41) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8789373 0.89 NPY1R (0.41) PSMB5NFKB1NFKB2RELANPY1R
SCHEMBL8790228 0.87 PSMB5 (0.41) PSMB5CTSSCTSKNFKB1NFKB2
SCHEMBL9421660 0.86 PSMB5 (0.44) PSMB5CTSSCTSKNFKB1NFKB2
SCHEMBL9421695 0.85 CTSS (0.39) PSMB5CTSSCTSKNFKB1NFKB2
SCHEMBL8789119 0.85 MAPT (0.44) CTSSCTSKMMP8MMP1

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