SCHEMBL29977834

SCHEMBL29977834

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.39
▸ NPY1R P25929 8/20 0.39
▸ NPY5R Q15761 7/20 0.39
▸ NPY2R P49146 4/20 0.39
▸ NOD1 Q9Y239 1/20 0.38
▸ FURIN P09958 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ GNPAT O15228 1/20 0.36

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
SCHEMBL23106038 0.90 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL1711524 0.89 C3AR1 (0.44) NOD1FURINSMN1; SMN2FOLH1GNPAT
SCHEMBL1711520 0.89 C3AR1 (0.44) NOD1FURINSMN1; SMN2FOLH1GNPAT
SCHEMBL29870738 0.87 NOD1 (0.46) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL31184455 0.86 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL23106252 0.86 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL31673514 0.86 FURIN (0.39) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL30786591 0.86 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL7206555 0.86 FURIN (0.44) NPY4RNPY1RNPY5RNPY2RFURIN
SCHEMBL29485118 0.86 FURIN (0.40) NPY4RNPY1RNPY5RNPY2RNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4329792-A1 COMPOUND FOR TREATING COVID-19 INFECTIONS Technische Universität München (DE) 2024-03-06 — — EP disclosed
WO-2022229459-A1 COMPOUND FOR TREATING COVID-19 INFECTIONS Technische Universität München (DE) 2022-11-03 — — WO disclosed
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