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Sugi Predict / Compounds / SCHEMBL29533335

SCHEMBL29533335

SCHEMBL29533335

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.62
▸ CCKBR P32239 1/20 0.61
▸ CXCL8 P10145 8/20 0.61
▸ CXCR4 P61073 6/20 0.60
▸ OPRM1 P35372 1/20 0.58
▸ C5AR1 P21730 1/20 0.57
▸ KISS1R Q969F8 1/20 0.56

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
SCHEMBL28737909 1.00 TACR1 (0.62) TACR1CCKBRCXCL8CXCR4OPRM1
SCHEMBL30414398 0.87 NTSR2 (0.61) TACR1CCKBRCXCL8CXCR4KISS1R
SCHEMBL30600981 0.86 NPY1R (0.60) TACR1CXCL8CXCR4C5AR1KISS1R
SCHEMBL29440225 0.86 TACR1 (0.59) TACR1CXCL8CXCR4KISS1R
SCHEMBL30531928 0.86 C5AR1 (0.60) TACR1CCKBRCXCL8CXCR4C5AR1
SCHEMBL29733680 0.86 CXCR4 (0.60) TACR1CXCL8CXCR4KISS1R
SCHEMBL31186286 0.84 KISS1R (0.65) TACR1CXCL8CXCR4OPRM1KISS1R
SCHEMBL30893565 0.84 CXCR4 (0.63) CXCL8CXCR4
SCHEMBL30007955 0.84 NTSR2 (0.65) TACR1OPRM1C5AR1KISS1R
SCHEMBL31606485 0.84 CXCL8 (0.56) CXCL8CXCR4C5AR1KISS1R

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-114376974-B Microenvironment enzyme targeting combined antibody Fab cell targeting vector and preparation method and application thereof 中山大学南昌研究院 2023-06-09 — — CN claimed
CN-114366724-B Microenvironment macrophage regulation and delivery system and preparation method and application thereof 中山大学附属第一医院 2023-02-24 — — CN claimed
CN-114376974-B Microenvironment enzyme targeting combined antibody Fab cell targeting vector and preparation method and application thereof 中山大学南昌研究院 2023-06-09 — — CN disclosed
CN-114366724-B Microenvironment macrophage regulation and delivery system and preparation method and application thereof 中山大学附属第一医院 2023-02-24 — — CN disclosed
CN-114376974-A Microenvironment enzyme targeting combined antibody Fab cell targeting vector and preparation method and application thereof 中山大学南昌研究院 2022-04-22 — — CN disclosed
CN-114366724-A Microenvironment macrophage regulation and delivery system and preparation method and application thereof 中山大学附属第一医院 2022-04-19 — — CN disclosed
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