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Sugi Predict / Compounds / SCHEMBL30605456

SCHEMBL30605456

SCHEMBL30605456

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.52
▸ NPY1R P25929 8/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ NPY2R P49146 4/20 0.52
▸ KISS1R Q969F8 2/20 0.49
▸ APLNR P35414 1/20 0.48
▸ GLP1R P43220 2/20 0.48
▸ SCTR P47872 1/20 0.48

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
SCHEMBL29576266 0.94 KISS1R (0.51) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30612296 0.94 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30605443 0.94 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29684563 0.91 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL31437677 0.91 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29659733 0.91 C5AR1 (0.53) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL30519216 0.90 GLP1R (0.46) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL17887897 0.90 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL17887995 0.90 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30252503 0.89 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R

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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