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Sugi Predict / Compounds / SCHEMBL29386197

SCHEMBL29386197

SCHEMBL29386197

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.62
▸ ECE1 P42892 1/20 0.62
▸ MUS81 Q96NY9 1/20 0.62
▸ IL23R Q5VWK5 9/20 0.61
▸ NPBWR1 P48145 4/20 0.60
▸ OPRD1 P41143 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
SCHEMBL29669735 0.91 RXFP1 (0.64) GLP1RECE1MUS81IL23RNPBWR1
Tachyplesin Iii SCHEMBL29458037 0.90 IL23R (0.72) IL23R
SCHEMBL29669637 0.89 NPBWR1 (0.71) NPBWR1
SCHEMBL30817665 0.89 KISS1R (0.60) GLP1RECE1MUS81NPBWR1
SCHEMBL30817666 0.89 KISS1R (0.60) GLP1RECE1MUS81NPBWR1
SCHEMBL30523600 0.89 IL23R (0.62) GLP1RECE1MUS81IL23RNPBWR1
SCHEMBL30607740 0.88 KISS1R (0.61) GLP1RECE1MUS81IL23RNPBWR1
SCHEMBL30607735 0.88 KISS1R (0.61) GLP1RECE1MUS81IL23RNPBWR1
SCHEMBL30607747 0.88 KISS1R (0.61) GLP1RECE1MUS81IL23RNPBWR1
SCHEMBL30130556 0.88 KISS1R (0.65) GLP1RECE1MUS81NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270828-A1 COMPOSITION FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BICT S.R.L. (IT) 2023-08-31 — — US claimed
US-12036267-B2 Lactoferricin and lactoferrampin for treating infections BICT S.R.L. (IT) 2024-07-16 — — US disclosed
US-20230270828-A1 COMPOSITION FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BICT S.R.L. (IT) 2023-08-31 — — US disclosed
EP-4188421-A1 COMPOSITION FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BICT s.r.l. (IT) 2023-06-07 — — EP disclosed
WO-2022029577-A1 COMPOSITION FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BICT S.R.L. (IT) 2022-02-10 — — WO disclosed
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