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Sugi Predict / Compounds / SCHEMBL29660518

SCHEMBL29660518

SCHEMBL29660518

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.62
▸ NPY1R P25929 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ NPY5R Q15761 1/20 0.60
▸ CXCR4 P61073 2/20 0.57
▸ CALCA P06881 2/20 0.56
▸ CAPN1 P07384 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ DPP3 Q9NY33 2/20 0.55
▸ TACR1 P25103 1/20 0.55
▸ EED O75530 1/20 0.54
▸ GLP1R P43220 4/20 0.53
▸ GIPR P48546 4/20 0.53

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
SCHEMBL30320550 0.91 NPY1R (0.64) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29602399 0.90 KISS1R (0.65) KISS1RCXCR4CAPN1CTSBTACR1
SCHEMBL30605444 0.89 NTSR2 (0.61) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30432724 0.88 NPY1R (0.58) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658391 0.87 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29445593 0.87 KISS1R (0.61) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30495771 0.87 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30495674 0.87 NPY1R (0.60) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30887981 0.86 CALCA (0.65) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30729468 0.86 NPY1R (0.61) KISS1RNPY1RNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250242039-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS INC (US) 2025-07-31 — — US disclosed
US-20240299565-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS APPLIED MOLECULAR TRANSPORT INC. 2024-09-12 — — US disclosed
EP-4316586-A2 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2024-02-07 — — EP disclosed
EP-4082558-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2023-08-23 — — EP disclosed
US-20230158163-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS, INC. 2023-05-25 — — US disclosed
EP-4082558-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2022-11-02 — — EP disclosed
US-11426466-B2 Toxin-derived delivery constructs for pulmonary delivery APPLIED MOLECULAR TRANSPORT INC. (US) 2022-08-30 — — US disclosed
EP-3762009-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2022-05-11 — — EP disclosed
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