SCHEMBL29462359

SCHEMBL29462359

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.60
▸ LNPEP Q9UIQ6 2/20 0.60
▸ GNPAT O15228 1/20 0.57
▸ OPRK1 P41145 2/20 0.56
▸ CHRNA1 P02708 1/20 0.55
▸ CHRNG P07510 1/20 0.55
▸ CHRNB1 P11230 1/20 0.55
▸ CHRND Q07001 1/20 0.55
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ OPRD1 P41143 6/20 0.54
▸ OPRM1 P35372 4/20 0.53

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
SCHEMBL30712028 1.00 ERAP2 (0.60) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL30523241 1.00 ERAP2 (0.60) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL31347785 1.00 ERAP2 (0.60) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL30591078 1.00 ERAP2 (0.60) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL31474739 1.00 ERAP2 (0.60) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL29641060 0.97 NPY1R (0.58) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL30523264 0.97 LNPEP (0.63) ERAP2LNPEPGNPATOPRK1CHRNA1
SCHEMBL29577087 0.96 NPY4R (0.59) ERAP2LNPEPGNPATCHRNA1CHRNG
SCHEMBL29576811 0.96 NPY4R (0.59) ERAP2LNPEPGNPATCHRNA1CHRNG
SCHEMBL30931517 0.95 LNPEP (0.62) ERAP2LNPEPGNPATOPRK1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496356-A CXCR4 specific molecular imaging probe and preparation method and application thereof 上海交通大学医学院附属仁济医院 2023-07-28 — — CN claimed
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN claimed
CN-114364690-A Novel radiolabeled CXCR4 targeting compounds for diagnosis and therapy 省卫生服务机构 2022-04-15 — — CN claimed
CN-119661653-A CXCR4 targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2025-03-21 — — CN disclosed
CN-112673015-B CXCR4 targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2025-01-07 — — CN disclosed
CN-117042812-A CXCR 4-ligands and precursors thereof for diagnostic and therapeutic uses 慕尼黑工业大学 2023-11-10 — — CN disclosed
CN-116496356-A CXCR4 specific molecular imaging probe and preparation method and application thereof 上海交通大学医学院附属仁济医院 2023-07-28 — — CN disclosed
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN disclosed
CN-113150068-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-04-04 — — CN disclosed
CN-114364690-A Novel radiolabeled CXCR4 targeting compounds for diagnosis and therapy 省卫生服务机构 2022-04-15 — — CN disclosed
CN-114364690-A Novel radiolabeled CXCR4 targeting compounds for diagnosis and therapy 省卫生服务机构 2022-04-15 — — CN disclosed
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