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SCHEMBL30607351

SCHEMBL30607351

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 5/20 0.59
▸ AGTR1 P30556 4/20 0.59
▸ CALCRL Q16602 5/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ LNPEP Q9UIQ6 4/20 0.56
▸ ANPEP P15144 2/20 0.56
▸ NTSR2 O95665 2/20 0.53
▸ NTSR1 P30989 2/20 0.53
▸ REN P00797 1/20 0.52
▸ RAMP1 O60894 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ SORT1 Q99523 1/20 0.51

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
SCHEMBL30712946 0.85 CALCRL (0.58) AGTR2AGTR1CALCRLSLC6A2NPY1R
SCHEMBL30698075 0.83 AGTR2 (0.61) AGTR2AGTR1CALCRLNTSR2NTSR1
SCHEMBL29679939 0.82 SLC6A2 (0.57) AGTR2AGTR1CALCRLSLC6A2NTSR2
SCHEMBL30688072 0.81 ANPEP (0.56) AGTR2AGTR1SLC6A2LNPEPANPEP
SCHEMBL31071499 0.81 SLC6A2 (0.63) AGTR2AGTR1CALCRLSLC6A2NTSR2
SCHEMBL30478004 0.81 SLC6A2 (0.60) AGTR2AGTR1SLC6A2LNPEPANPEP
SCHEMBL31681688 0.81 EPHA2 (0.58) SLC6A2NTSR2NTSR1NPY1R
SCHEMBL31182446 0.81 NTSR1 (0.66) AGTR2AGTR1NTSR2NTSR1SORT1
SCHEMBL30512601 0.81 NTSR1 (0.58) AGTR2AGTR1NTSR2NTSR1NPY1R
SCHEMBL29679562 0.81 NTSR2 (0.58) SLC6A2NTSR2NTSR1SORT1

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
US-12383505-B2 Nanoparticle for the remodeling of cancer-associated fibroblasts UNIVERSITY OF SOUTH CAROLINA (US) 2025-08-12 — — US disclosed
US-20230310331-A1 NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS UNIVERSITY OF SOUTH CAROLINA (US) 2023-10-05 — — US disclosed
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