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Sugi Predict / Compounds / SCHEMBL30605453

SCHEMBL30605453

SCHEMBL30605453

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.59
▸ GRPR P30550 2/20 0.59
▸ GLP1R P43220 6/20 0.57
▸ CCKBR P32239 2/20 0.57
▸ C5AR1 P21730 2/20 0.57
▸ CXCR4 P61073 2/20 0.55
▸ GCGR P47871 3/20 0.55
▸ KISS1R Q969F8 4/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 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
SCHEMBL30605444 0.93 NTSR2 (0.61) GLP1RCXCR4KISS1RNPY1RNPY2R
SCHEMBL31475697 0.88 NMBR (0.60) NMBRGRPRGLP1RCCKBRC5AR1
SCHEMBL30607317 0.87 KEAP1 (0.67) GLP1RCCKBRC5AR1CXCR4GCGR
SCHEMBL30607392 0.87 C5AR1 (0.65) NMBRGRPRGLP1RCCKBRC5AR1
SCHEMBL30518116 0.86 NTSR2 (0.58) NMBRGRPRC5AR1CXCR4KISS1R
SCHEMBL30518080 0.86 NTSR2 (0.65) NMBRGRPRC5AR1CXCR4KISS1R
SCHEMBL29655839 0.86 CXCR4 (0.63) GLP1RC5AR1CXCR4GCGRKISS1R
SCHEMBL30570801 0.86 GLP1R (0.58) NMBRGRPRGLP1RCCKBRC5AR1
SCHEMBL31725226 0.86 NMBR (0.60) NMBRGRPRGLP1RCCKBRC5AR1
SCHEMBL30415232 0.85 C5AR1 (0.67) GLP1RC5AR1CXCR4GCGRNPY1R

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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