SCHEMBL29625249

SCHEMBL29625249

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 9/20 0.43
▸ BACE1 P56817 4/20 0.42
▸ CTSD P07339 1/20 0.42
▸ NPY4R P50391 5/20 0.41
▸ NPY1R P25929 4/20 0.41
▸ NPY2R P49146 4/20 0.41
▸ NPY5R Q15761 4/20 0.41
▸ VIPR2 P41587 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
SCHEMBL29625226 0.96 ENPEP (0.45) ENPEPBACE1NPY4RNPY1RNPY2R
SCHEMBL29625204 0.94 NPY4R (0.43) ENPEPBACE1NPY4RNPY1RNPY2R
SCHEMBL29625213 0.90 NPY4R (0.44) ENPEPBACE1NPY4RNPY1RNPY2R
SCHEMBL22687904 0.89 NPY4R (0.41) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29625209 0.89 ENPEP (0.48) ENPEP
SCHEMBL29524799 0.87 BACE1 (0.42) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31206359 0.87 NPY4R (0.46) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29911841 0.87 BACE1 (0.45) ENPEPBACE1CTSDNPY4RNPY1R
SCHEMBL30839890 0.86 NPY4R (0.42) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29679761 0.86 BACE1 (0.47) BACE1CTSDNPY4RNPY1RNPY2R

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
US-20220257698-A1 ANGIOTENSIN TYPE 2 (AT2) RECEPTOR AGONISTS FOR USE IN THE TREATMENT OF CANCER LANTHIOPEP B.V. (NL) 2022-08-18 — — US disclosed
EP-4007592-A1 ANGIOTENSIN TYPE 2 (AT2) RECEPTOR AGONISTS FOR USE IN THE TREATMENT OF CANCER LanthioPep B.V. (NL) 2022-06-08 — — EP disclosed
CN-114514032-A Angiotensin type 2 (AT2) receptor agonists for the treatment of cancer 兰提欧派普有限公司 2022-05-17 — — CN disclosed
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