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Sugi Predict / Compounds / SCHEMBL30101883

SCHEMBL30101883

SCHEMBL30101883

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 13/20 0.58
▸ GHSR Q92847 3/20 0.57
▸ KISS1R Q969F8 3/20 0.56
▸ NPY2R P49146 1/20 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
SCHEMBL29659700 0.98 IL23R (0.59) IL23RGHSRKISS1RNPY2R
SCHEMBL29702300 0.98 IL23R (0.59) IL23RGHSRKISS1RNPY2R
SCHEMBL30743614 0.96 GHSR (0.59) IL23RGHSRKISS1R
SCHEMBL30276247 0.95 IL23R (0.61) IL23R
SCHEMBL29659604 0.95 IL23R (0.59) IL23RGHSR
SCHEMBL30276198 0.95 IL23R (0.59) IL23RGHSR
SCHEMBL30276227 0.94 IL23R (0.63) IL23R
SCHEMBL29659636 0.94 IL23R (0.63) IL23R
SCHEMBL30276262 0.94 IL23R (0.63) IL23R
SCHEMBL30276212 0.93 KISS1R (0.62) IL23RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201644-A Ligand compounds comprising chelating groups as bridging groups 慕尼黑工业大学 2024-06-14 — — CN claimed
EP-4380629-A1 LIGAND COMPOUNDS COMPRISING A CHELATING GROUP AS A BRIDGING GROUP Technische Universität München (DE) 2024-06-12 — — EP claimed
WO-2023012282-A1 LIGAND COMPOUNDS COMPRISING A CHELATING GROUP AS A BRIDGING GROUP Technische Universität München (DE) 2023-02-09 — — WO claimed
CN-119630622-A Silicon-based fluoride acceptor groups for radiopharmaceuticals 慕尼黑工业大学 2025-03-14 — — CN disclosed
CN-118201644-A Ligand compounds comprising chelating groups as bridging groups 慕尼黑工业大学 2024-06-14 — — CN disclosed
EP-4380629-A1 LIGAND COMPOUNDS COMPRISING A CHELATING GROUP AS A BRIDGING GROUP Technische Universität München (DE) 2024-06-12 — — EP disclosed
EP-4337270-A1 RADIOPHARMACEUTICAL SOMATOSTATIN RECEPTOR LIGANDS AND PRECURSORS THEREOF Technische Universität München (DE) 2024-03-20 — — EP disclosed
CN-117320759-A Radiopharmaceutical somatostatin receptor ligands and precursors thereof 慕尼黑工业大学 2023-12-29 — — CN disclosed
WO-2023012282-A1 LIGAND COMPOUNDS COMPRISING A CHELATING GROUP AS A BRIDGING GROUP Technische Universität München (DE) 2023-02-09 — — WO disclosed
WO-2022238553-A1 RADIOPHARMACEUTICAL SOMATOSTATIN RECEPTOR LIGANDS AND PRECURSORS THEREOF Technische Universität München (DE) 2022-11-17 — — WO disclosed
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