SCHEMBL31115950

SCHEMBL31115950

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

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.69
▸ NPY1R P25929 11/20 0.69
▸ NPY5R Q15761 10/20 0.69
▸ NPY2R P49146 7/20 0.69

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
SCHEMBL31243206 0.92 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31519352 0.92 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31621732 0.90 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29591929 0.90 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL22413050 0.90 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL22413053 0.90 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30471426 0.90 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31672196 0.89 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30363514 0.89 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30497933 0.88 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R

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-118526524-A Preparation method of mucin-philin ackermanni metaplasia, product and application thereof 微康益生菌(苏州)股份有限公司 2024-08-23 — — CN disclosed
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