Sugi Predict

Sugi Predict / Compounds / SCHEMBL30080575

SCHEMBL30080575

SCHEMBL30080575

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.51
▸ KISS1R Q969F8 14/20 0.49
▸ MC4R P32245 2/20 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
SCHEMBL29476562 0.95 MC4R (0.50) C5AR1KISS1RMC4R
SCHEMBL29476617 0.95 MC4R (0.50) C5AR1KISS1RMC4R
SCHEMBL30218268 0.94 KISS1R (0.53) C5AR1KISS1R
SCHEMBL30725663 0.94 MC4R (0.49) C5AR1KISS1RMC4R
SCHEMBL29511047 0.94 C5AR1 (0.50) C5AR1MC4R
SCHEMBL31555126 0.94 MC4R (0.49) C5AR1KISS1RMC4R
SCHEMBL30104393 0.94 CTSL (0.47) C5AR1MC4R
SCHEMBL30264960 0.93 CTSL (0.49) C5AR1KISS1RMC4R
SCHEMBL29476499 0.93 MC4R (0.50) C5AR1KISS1RMC4R
SCHEMBL31620051 0.93 TUBB4A (0.51) C5AR1KISS1RMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626952-A Shellfish antibacterial peptide B1-alpha and application thereof 浙江海洋大学 2023-01-20 — — CN disclosed
CN-115626952-A Shellfish antibacterial peptide B1-alpha and application thereof 浙江海洋大学 2023-01-20 — — CN disclosed
CN-115594737-A Shellfish antibacterial peptide B2-alpha and application thereof 浙江海洋大学（CN） 2023-01-13 — — CN disclosed
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