Sugi Predict

Sugi Predict / Compounds / Violacin A

Violacin A

Violacin A

SCHEMBL29519675

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSCC3NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.70
▸ ITGB3 P05106 1/20 0.64
▸ ITGB1 P05556 1/20 0.64
▸ ITGAV P06756 1/20 0.64
▸ ITGA5 P08648 1/20 0.64
▸ ITGB5 P18084 1/20 0.64
▸ ST14 Q9Y5Y6 1/20 0.61
▸ MC4R P32245 1/20 0.59
▸ MC1R Q01726 1/20 0.59
▸ PLG P00747 1/20 0.58
▸ TFPI P10646 3/20 0.56
▸ FURIN P09958 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ GABBR2 O75899 1/20 0.56
▸ GABBR1 Q9UBS5 1/20 0.56
▸ PCSK9 Q8NBP7 1/20 0.54
▸ PIN1 Q13526 1/20 0.54
▸ EPHA2 P29317 1/20 0.54
▸ KCNA3 P22001 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
Circulin C SCHEMBL29508755 0.94 ELANE (0.73) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolin D SCHEMBL30831405 0.94 ELANE (0.75) ELANEITGB3ITGB1ITGAVITGA5
Palicourein SCHEMBL30178312 0.93 ELANE (0.76) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolin C SCHEMBL30831410 0.92 ELANE (0.75) ELANEITGB3ITGB1ITGAVITGA5
Circulin B SCHEMBL29508758 0.91 ELANE (0.74) ELANEITGB3ITGB1ITGAVITGA5
Circulin F SCHEMBL29508763 0.88 ELANE (0.69) ELANETFPIGABBR2GABBR1PCSK9
Cycloviolacin O13 SCHEMBL30831409 0.88 ELANE (0.71) ELANETFPIPCSK9EPHA2
Cycloviolacin O15 SCHEMBL30831403 0.87 ELANE (0.68) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolacin O14 SCHEMBL30831407 0.87 ELANE (0.67) ELANEITGB3ITGB1ITGAVITGA5
Mibenratide SCHEMBL29534419 0.86 ELANE (0.68) ELANEITGB3ITGB1ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240269230-A1 CYCLOTIDES IN COMBINATION WITH KAPPA OPIOID RECEPTOR LIGANDS FOR MS THERAPY MEDIZINISCHE UNIVERSITAT WIEN (AT) 2024-08-15 — — US disclosed
US-20240092846-A1 ENGINEERED CYCLOTIDES WITH POTENT BROAD ANTIMICROBIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-21 — — US disclosed
CN-115697371-A Macrocyclic oligopeptides in combination with kappa opioid receptor ligands for MS therapy 维也纳医科大学 2023-02-03 — — CN disclosed
EP-4121085-A1 CYCLOTIDES IN COMBINATION WITH KAPPA OPIOID RECEPTOR LIGANDS FOR MS THERAPY Medizinische Universität Wien (AT) 2023-01-25 — — EP disclosed
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