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Sugi Predict / Compounds / SCHEMBL29845337

SCHEMBL29845337

SCHEMBL29845337

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ CXCL8 P10145 8/20 0.56
▸ C5AR1 P21730 1/20 0.56
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55

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
SCHEMBL29845535 0.97 CXCR4 (0.60) CXCR4KISS1RCXCL8C5AR1NPY1R
SCHEMBL30381557 0.96 KISS1R (0.59) CXCR4KISS1RCXCL8C5AR1NPY1R
SCHEMBL30381409 0.93 CXCR4 (0.58) CXCR4KISS1RCXCL8C5AR1NPY1R
SCHEMBL31020751 0.91 DPP3 (0.59) KISS1RCXCL8
SCHEMBL30381291 0.91 KISS1R (0.56) CXCR4KISS1RCXCL8C5AR1
SCHEMBL29845416 0.90 KISS1R (0.57) CXCR4KISS1RC5AR1
SCHEMBL31746148 0.90 DPP3 (0.58) KISS1RCXCL8
SCHEMBL30512708 0.89 CXCR4 (0.60) CXCR4KISS1RCXCL8C5AR1NPY1R
SCHEMBL30258020 0.88 CXCL8 (0.56) CXCR4KISS1RCXCL8
SCHEMBL29546449 0.88 C5AR1 (0.56) CXCR4KISS1RCXCL8C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124594-B Active polypeptide and application thereof 中国林业科学研究院经济林研究所 2023-04-28 — — CN claimed
CN-115124594-A Active polypeptide and application thereof 国家林业和草原局泡桐研究开发中心 2022-09-30 — — CN claimed
CN-115124594-B Active polypeptide and application thereof 中国林业科学研究院经济林研究所 2023-04-28 — — CN disclosed
CN-115124594-B Active polypeptide and application thereof 中国林业科学研究院经济林研究所 2023-04-28 — — CN disclosed
CN-115124594-A Active polypeptide and application thereof 国家林业和草原局泡桐研究开发中心 2022-09-30 — — CN disclosed
CN-115124594-A Active polypeptide and application thereof 国家林业和草原局泡桐研究开发中心 2022-09-30 — — CN disclosed
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