SCHEMBL30988539

SCHEMBL30988539

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.47
▸ NPY4R P50391 12/20 0.42
▸ NPY5R Q15761 9/20 0.42
▸ NPY1R P25929 8/20 0.42
▸ NPY2R P49146 6/20 0.42
▸ NMT2 O60551 2/20 0.40
▸ NMT1 P30419 2/20 0.40
▸ C3AR1 Q16581 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39

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
SCHEMBL31472996 0.97 SLC15A2 (0.50) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL30373028 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL29461533 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL5598706 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL30372694 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL31106970 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL30713830 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL5598713 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL31717990 0.96 SLC15A2 (0.51) SLC15A2NPY4RNPY5RNPY1RNPY2R
SCHEMBL29875467 0.96 SLC15A2 (0.44) SLC15A2NPY4RNPY5RNPY1RNPY2R

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-118290533-A Biosynthetic bubble targeting CXCR4 protein as well as preparation method and application thereof 中国科学院深圳先进技术研究院 2024-07-05 — — CN disclosed
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