SCHEMBL7275592

SCHEMBL7275592

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC(N)C(=O)OCc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.58
CASP3 P42574 2/20 0.51
CASP7 P55210 1/20 0.51
OPRD1 P41143 3/20 0.51
CASP1 P29466 2/20 0.51
CASP9 P55211 1/20 0.51
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NPY4R P50391 1/20 0.49
CTSL P07711 1/20 0.49
ERAP2 Q6P179 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
CPA1 P15085 1/20 0.47
CPA2 P48052 1/20 0.47
CPA4 Q9UI42 1/20 0.47
REN P00797 1/20 0.46

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
SCHEMBL7277518 0.88 CASP3 (0.58) GNPATCASP3CASP7CASP1CASP9
SCHEMBL7277400 0.84 CASP3 (0.53) GNPATCASP3CASP7CASP1CASP9
SCHEMBL7296845 0.84 GNPAT (0.47) GNPATCASP3CASP7CASP1CASP9
SCHEMBL11040848 0.83 OPRK1 (0.54) GNPATOPRD1NPY1RNPY2RNPY4R
SCHEMBL11040843 0.83 OPRK1 (0.54) GNPATOPRD1NPY1RNPY2RNPY4R
SCHEMBL7410461 0.82 CASP3 (0.46) GNPATCASP3CASP7CASP1CASP9
SCHEMBL9565155 0.81 CTSD (0.47) CASP3CASP7OPRD1CASP1CASP9
SCHEMBL24520152 0.80 BACE1 (0.58) CASP1
SCHEMBL29350612 0.80 ACE (0.58) OPRD1
SCHEMBL31243875 0.80 OPRM1 (0.53) GNPATOPRD1NPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533350-B1 DNA encoding precursor interleukin 1B converting enzyme MERCK & CO INC (US) 1999-05-26 EP disclosed
EP-0519748-B1 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO INC (US) 1998-09-02 EP disclosed
EP-0648128-A4 DNA ENCODING PRECURSOR INTERLEUKIN 1-g(b) CONVERTING ENZYME. MERCK & CO INC (US) 1995-07-26 EP disclosed
US-5434248-A Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme MERCK & CO., INC. (US) 1995-07-18 US disclosed
EP-0648128-A1 DNA ENCODING PRECURSOR INTERLEUKIN 1$g(b) CONVERTING ENZYME MERCK & CO. INC. (US) 1995-04-19 EP disclosed
US-5278061-A Affinity chromatography matrix useful in purifying interleukin-1β converting enzyme MERCK & CO., INC. (US) 1994-01-11 US disclosed
WO-1994000154-A1 DNA ENCODING PRECURSOR INTERLEUKIN 1β CONVERTING ENZYME MERCK & CO., INC. (US) 1994-01-06 WO disclosed
EP-0533350-A1 DNA encoding precursor interleukin 1B converting enzyme MERCK & CO. INC. (US) 1993-03-24 EP disclosed
EP-0529713-A1 Affinity chromatography matrix useful in purifying interleukin-1B converting enzyme MERCK & CO. INC. (US) 1993-03-03 EP disclosed