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SCHEMBL31307240

SCHEMBL31307240

C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.68
▸ NPY2R P49146 5/20 0.67
▸ NPY4R P50391 5/20 0.67
▸ NPY5R Q15761 5/20 0.67
▸ NPY1R P25929 4/20 0.67
▸ C5AR1 P21730 1/20 0.59
▸ CALCA P06881 1/20 0.58
▸ CXCL8 P10145 1/20 0.58

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
SCHEMBL30974336 0.96 CXCR4 (0.69) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974222 0.92 CXCR4 (0.65) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974492 0.91 CXCR4 (0.65) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31410847 0.91 CXCR4 (0.66) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31452901 0.89 CXCR4 (0.67) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29394617 0.89 CXCR4 (0.71) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30906444 0.88 CALCA (0.65) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495767 0.88 NPY1R (0.69) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182544 0.88 NPY1R (0.69) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974412 0.88 CXCR4 (0.64) CXCR4NPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4484442-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdanski (PL) 2025-01-01 — — EP claimed
EP-4484955-A1 METHOD FOR SCREENING OF EXTRACELLULAR TISSUE PEPTIDES IN MAMMALIAN TISSUE SAMPLES FOR HEALTH STATUS EVALUATION, DISEASE DIAGNOSTICS AND NEOANTIGEN DISCOVERY Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
EP-4484442-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
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