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Sugi Predict / Compounds / SCHEMBL29975121

SCHEMBL29975121

SCHEMBL29975121

CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 18/20 0.63
▸ EDNRA P25101 1/20 0.57
▸ IL23R Q5VWK5 1/20 0.54

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
SCHEMBL29975915 0.92 KISS1R (0.57) KISS1R
SCHEMBL17349933 0.89 KISS1R (0.63) KISS1RIL23R
SCHEMBL30845358 0.89 KISS1R (0.74) KISS1R
SCHEMBL29517511 0.89 KISS1R (0.58) KISS1RIL23R
SCHEMBL30469505 0.88 ERAP2 (0.58) KISS1R
SCHEMBL30469508 0.87 KISS1R (0.61) KISS1R
SCHEMBL31314991 0.87 KISS1R (0.61) KISS1R
SCHEMBL13604887 0.87 MC4R (0.57) KISS1R
SCHEMBL30028772 0.87 MC4R (0.57) KISS1R
SCHEMBL28235858 0.87 ACE (0.57) —

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
EP-4308146-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES Oak Crest Institute of Science (US) 2024-01-24 — — EP disclosed
EP-4171746-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL RESPIRATORY DISEASES Oak Crest Institute of Science (US) 2023-05-03 — — EP disclosed
WO-2022232275-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES OAK CREST INSTITUTE OF SCIENCE (US) 2022-11-03 — — WO disclosed
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