SCHEMBL29448255

SCHEMBL29448255

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.42
▸ NPY4R P50391 13/20 0.41
▸ NPY1R P25929 9/20 0.41
▸ NPY5R Q15761 8/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ CTSD P07339 1/20 0.41
▸ ECE1 P42892 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
SCHEMBL30198440 0.94 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30564977 0.92 NPY4R (0.40) BACE1NPY4RNPY1RNPY5RNPY2R
SCHEMBL29462565 0.92 ECE1 (0.46) BACE1NPY4RNPY1RNPY5RNPY2R
SCHEMBL32665650 0.91 CTSD (0.45) BACE1NPY4RCTSD
SCHEMBL30302920 0.87 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29968300 0.87 NPY4R (0.44) BACE1NPY4RNPY1RNPY5RNPY2R
SCHEMBL31265325 0.86 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31412170 0.86 CTSD (0.42) BACE1NPY4RNPY1RNPY5RCTSD
SCHEMBL30905091 0.85 NPY4R (0.46) BACE1NPY4RNPY1RNPY5RNPY2R
SCHEMBL10943030 0.85 NPY4R (0.49) BACE1NPY4RNPY1RNPY5RNPY2R

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
CN-110592046-B Application of zearalenone degrading enzyme in hydrolysis of zearalenone and derivatives thereof 湖北大学 2022-03-15 — — CN disclosed
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