SCHEMBL29913515

SCHEMBL29913515

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.62
▸ C5AR1 P21730 2/20 0.60
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 2/20 0.54
▸ MC3R P41968 2/20 0.54
▸ MC1R Q01726 2/20 0.54
▸ EED O75530 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.52

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
SCHEMBL29640703 0.89 C5AR1 (0.61) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30343340 0.89 C5AR1 (0.60) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL30978822 0.88 CXCR4 (0.60) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30176426 0.88 NPY1R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31688315 0.87 NPY2R (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31208374 0.87 C5AR1 (0.58) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL29655888 0.87 CXCR4 (0.58) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30512621 0.86 CXCR4 (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31001651 0.86 CXCR4 (0.59) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30432026 0.86 NPY2R (0.66) CXCR4C5AR1NPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043905-B Peptide fragment composition for relatively quantitatively analyzing pig glycine guanyltransferase GATM and application thereof 中国农业科学院北京畜牧兽医研究所 2023-10-13 — — CN disclosed
CN-115043905-A Peptide fragment composition for relatively quantitative analysis of porcine glycine amidine transferase GATM and application 中国农业科学院北京畜牧兽医研究所 2022-09-13 — — CN disclosed
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