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Sugi Predict / Compounds / SCHEMBL30331385

SCHEMBL30331385

SCHEMBL30331385

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.61
▸ NPY1R P25929 8/20 0.61
▸ NPY2R P49146 6/20 0.61
▸ NPY5R Q15761 5/20 0.61
▸ OPRD1 P41143 1/20 0.54
▸ BACE1 P56817 5/20 0.51
▸ BACE2 Q9Y5Z0 3/20 0.51

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
SCHEMBL31233596 0.97 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30331324 0.96 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL9807239 0.95 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL29649769 0.95 NPY4R (0.65) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL29649727 0.95 NPY4R (0.65) NPY4RNPY1RNPY2RNPY5ROPRD1
Thymopentin SCHEMBL989519 0.94 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRD1
Thymopentin SCHEMBL7498758 0.94 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRD1
Thymopentin SCHEMBL29512423 0.94 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRD1
Thymopentin SCHEMBL44001 0.94 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRD1
Thymopentin SCHEMBL29512388 0.94 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5ROPRD1

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-112500451-B Peptide compound for repairing skin immunity and application thereof 中科南京绿色制造产业创新研究院 2023-04-14 — — CN disclosed
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