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Sugi Predict / Compounds / SCHEMBL30690065

SCHEMBL30690065

SCHEMBL30690065

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.59
▸ NTSR1 P30989 1/20 0.55
▸ APLNR P35414 1/20 0.51
▸ CALCRL Q16602 2/20 0.51
▸ CXCL8 P10145 5/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ CAPN1 P07384 2/20 0.47

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
SCHEMBL31247408 0.96 SLC6A2 (0.55) SLC6A2NTSR1CALCRLOPRM1OPRD1
SCHEMBL31247519 0.95 SLC6A2 (0.61) SLC6A2NTSR1CXCL8OPRM1OPRD1
SCHEMBL30973955 0.92 SLC6A2 (0.60) SLC6A2NTSR1APLNRCALCRLOPRM1
SCHEMBL31247323 0.91 NTSR1 (0.58) SLC6A2NTSR1CALCRLCXCL8OPRM1
SCHEMBL30059638 0.90 SLC6A2 (0.63) SLC6A2NTSR1CALCRL
SCHEMBL30690107 0.90 CAPN1 (0.59) NTSR1CXCL8CAPN1
SCHEMBL30690108 0.90 CAPN1 (0.59) NTSR1CXCL8CAPN1
SCHEMBL30974085 0.88 NTSR1 (0.53) SLC6A2NTSR1CALCRLCXCL8
SCHEMBL30690087 0.88 CAPN1 (0.57) NTSR1APLNRCXCL8CAPN1
SCHEMBL29616319 0.88 SLC6A2 (0.53) SLC6A2CXCL8OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235070-A1 PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF 杭州禾泰健宇生物科技有限公司 2024-11-21 — — WO claimed
CN-117903233-A Lysate, application thereof and preparation method of polypeptide 杭州禾泰健宇生物科技有限公司 2024-04-19 — — CN claimed
CN-117247427-A Peptide compound, composition and application thereof 杭州禾泰健宇生物科技有限公司 2023-12-19 — — CN claimed
WO-2024235070-A1 PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF 杭州禾泰健宇生物科技有限公司 2024-11-21 — — WO disclosed
CN-117247427-B Peptide compound, composition and application thereof 杭州禾泰健宇生物科技有限公司 2024-08-23 — — CN disclosed
CN-117903233-A Lysate, application thereof and preparation method of polypeptide 杭州禾泰健宇生物科技有限公司 2024-04-19 — — CN disclosed
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