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SCHEMBL30605471

SCHEMBL30605471

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.63
▸ NMUR1 Q9HB89 5/20 0.63
▸ NTSR1 P30989 4/20 0.58
▸ NPY2R P49146 6/20 0.57
▸ NPY4R P50391 6/20 0.57
▸ NPY5R Q15761 6/20 0.57
▸ NPY1R P25929 4/20 0.57
▸ OPRM1 P35372 5/20 0.56
▸ OPRK1 P41145 5/20 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
SCHEMBL30605461 0.95 NMUR2 (0.61) NMUR2NMUR1NTSR1NPY2RNPY4R
SCHEMBL30064735 0.88 NPY4R (0.58) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30892650 0.87 NMUR2 (0.64) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30892660 0.87 EPHA2 (0.58) NMUR2NMUR1OPRM1
SCHEMBL29973053 0.87 NMUR2 (0.62) NMUR2NMUR1NTSR1NPY2RNPY4R
SCHEMBL30832767 0.86 OPRD1 (0.57) NTSR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30414371 0.86 OPRD1 (0.57) NMUR2NMUR1NTSR1OPRM1
SCHEMBL29886800 0.86 NTSR2 (0.67) NTSR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30892654 0.86 NMUR2 (0.64) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30436277 0.85 NTSR1 (0.60) NMUR2NMUR1NTSR1NPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903781-B Functional polymer targeting endotoxin, endotoxin separation material, preparation and application DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 — — CN claimed
CN-116903702-A Polypeptide and application thereof 中国科学院大连化学物理研究所 2023-10-20 — — CN claimed
CN-116903781-A Functional polymer targeting endotoxin, endotoxin separation material, preparation and application 中国科学院大连化学物理研究所 2023-10-20 — — CN claimed
CN-116903781-B Functional polymer targeting endotoxin, endotoxin separation material, preparation and application DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 — — CN disclosed
CN-116903702-A Polypeptide and application thereof 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
CN-116903702-A Polypeptide and application thereof 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
CN-116903781-A Functional polymer targeting endotoxin, endotoxin separation material, preparation and application 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
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