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Sugi Predict / Compounds / SCHEMBL30872254

SCHEMBL30872254

SCHEMBL30872254

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.58
▸ EPHA2 P29317 2/20 0.58
▸ OPRD1 P41143 3/20 0.57
▸ NPY2R P49146 7/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ TFPI P10646 1/20 0.54
▸ CXCR4 P61073 1/20 0.54

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
SCHEMBL31129150 0.97 OPRD1 (0.59) C5AR1EPHA2OPRD1NPY2RNPY4R
SCHEMBL31129141 0.97 C5AR1 (0.59) C5AR1EPHA2OPRD1NPY2RNPY4R
SCHEMBL31129133 0.96 OPRD1 (0.62) C5AR1EPHA2OPRD1
SCHEMBL31129138 0.95 OPRD1 (0.61) C5AR1EPHA2OPRD1NPY2RNPY4R
SCHEMBL30105815 0.95 NPY2R (0.63) OPRD1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31633302 0.95 NPY2R (0.63) OPRD1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31129136 0.94 OPRD1 (0.56) C5AR1EPHA2OPRD1NPY2RNPY4R
SCHEMBL31129128 0.93 NPY2R (0.61) EPHA2OPRD1NPY2RNPY4RNPY5R
SCHEMBL31129149 0.93 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31129143 0.92 OPRD1 (0.57) C5AR1OPRD1NPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986325-B Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-12-13 — — CN disclosed
CN-117986325-A Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-05-07 — — CN disclosed
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