SCHEMBL30093349

SCHEMBL30093349

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.41
▸ SCTR P47872 1/20 0.40
▸ C5AR1 P21730 1/20 0.39
▸ HRH1 P35367 1/20 0.39

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
SCHEMBL29808308 0.94 C5AR1 (0.41) GLP1RSCTRC5AR1
SCHEMBL29514645 0.88 BACE1 (0.44) GLP1RSCTRC5AR1
SCHEMBL29514698 0.87 BACE1 (0.43) GLP1RSCTRC5AR1
SCHEMBL29514797 0.87 BACE1 (0.43) GLP1RSCTRC5AR1
SCHEMBL30240002 0.86 ENPEP (0.43) GLP1R
SCHEMBL30441425 0.86 SLC15A2 (0.43) C5AR1
SCHEMBL20797727 0.83 SLC15A2 (0.53) —
SCHEMBL31514341 0.83 BACE1 (0.38) GLP1RSCTR
SCHEMBL29530561 0.83 SLC15A2 (0.39) GLP1RSCTRC5AR1
SCHEMBL31031469 0.82 BACE1 (0.52) GLP1RSCTRC5AR1

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
US-20220370545-A1 INTEGRIN RECEPTOR ALPHA V BETA 3 AND ITS LIGAND INVOLVED IN CHRONIC ITCH NORTH CAROLINA STATE UNIVERSITY 2022-11-24 — — US claimed
US-20230149503-A1 COMPOSITIONS AND METHODS FOR TREATING DYSREGULATED WOUND HEALING UNIV CALIFORNIA (US) 2023-05-18 — — US disclosed
US-20220370545-A1 INTEGRIN RECEPTOR ALPHA V BETA 3 AND ITS LIGAND INVOLVED IN CHRONIC ITCH NORTH CAROLINA STATE UNIVERSITY 2022-11-24 — — US disclosed
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