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Sugi Predict / Compounds / SCHEMBL30769771

SCHEMBL30769771

SCHEMBL30769771

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.61
▸ KISS1R Q969F8 6/20 0.60
▸ CXCR4 P61073 5/20 0.59
▸ CXCL8 P10145 4/20 0.57
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ CAPN1 P07384 2/20 0.55
▸ CTSB P07858 2/20 0.55

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
SCHEMBL29733680 0.96 CXCR4 (0.60) TACR1KISS1RCXCR4CXCL8NTSR2
SCHEMBL31242543 0.95 NTSR2 (0.60) TACR1KISS1RCXCR4NTSR2NTSR1
SCHEMBL31186286 0.91 KISS1R (0.65) TACR1KISS1RCXCR4CXCL8NTSR2
SCHEMBL29733691 0.88 NTSR2 (0.63) TACR1KISS1RCXCR4NTSR2NTSR1
SCHEMBL30570732 0.88 CXCL8 (0.62) TACR1CXCR4CXCL8
SCHEMBL29454449 0.88 CXCL8 (0.62) TACR1CXCR4CXCL8
SCHEMBL30893565 0.87 CXCR4 (0.63) CXCR4CXCL8NTSR2NTSR1SORT1
SCHEMBL29535981 0.86 TACR1 (0.78) TACR1KISS1RNTSR2NTSR1SORT1
SCHEMBL29543021 0.86 TACR1 (0.78) TACR1KISS1RNTSR2NTSR1SORT1
SCHEMBL29350118 0.86 TACR1 (0.78) TACR1KISS1RNTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547221-A2 STABLE PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF MODERATE/SEVERE DRY EYE-RELATED OCULAR SYMPTOMS TearSolutions, Inc. (US) 2025-05-07 — — EP disclosed
WO-2024006653-A2 STABLE PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF MODERATE/SEVERE DRY EYE-RELATED OCULAR SYMPTOMS TEARSOLUTIONS, INC. (US) 2024-01-04 — — WO disclosed
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