SCHEMBL31265325

SCHEMBL31265325

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.43
▸ NPY1R P25929 10/20 0.43
▸ NPY5R Q15761 9/20 0.43
▸ NPY2R P49146 6/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL30564977 0.94 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30685283 0.93 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30198440 0.91 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29388198 0.90 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9819648 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29697049 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9819642 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30090904 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL24419897 0.89 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29350680 0.89 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RSIRT5

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-118853640-A Carbapenem drug-resistant gene and application thereof 郑州大学 2024-10-29 — — CN disclosed
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