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SCHEMBL30104393

SCHEMBL30104393

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ C5AR1 P21730 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ MC4R P32245 2/20 0.46
▸ ECE1 P42892 3/20 0.46
▸ UTS2R Q9UKP6 1/20 0.45
▸ PRKACB P22694 1/20 0.44

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) C5AR1MC4R
SCHEMBL29476617 0.95 MC4R (0.50) C5AR1MC4R
SCHEMBL31555126 0.95 MC4R (0.49) C5AR1MC4RUTS2R
SCHEMBL30264960 0.94 CTSL (0.49) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29476499 0.94 MC4R (0.50) C5AR1MC4R
SCHEMBL31620051 0.94 TUBB4A (0.51) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29476495 0.94 TUBB4A (0.51) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29531021 0.94 TUBB4A (0.51) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30080575 0.94 C5AR1 (0.51) C5AR1MC4R
SCHEMBL29511047 0.93 C5AR1 (0.50) C5AR1MC4RUTS2R

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
CN-113993881-B Peptides for delivery of anionic materials 贝尔法斯特女王大学 2024-07-16 — — CN claimed
US-20220389059-A1 A PEPTIDE FOR THE DELIVERY OF ANIONIC MATERIALS THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2022-12-08 — — US claimed
US-12049519-B2 Peptide for the delivery of anionic materials THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2024-07-30 — — US disclosed
US-20220389059-A1 A PEPTIDE FOR THE DELIVERY OF ANIONIC MATERIALS THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2022-12-08 — — US disclosed
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