SCHEMBL30446840

SCHEMBL30446840

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 12/20 0.54
▸ NTSR1 P30989 12/20 0.54
▸ SORT1 Q99523 11/20 0.54
▸ AGTR1 P30556 1/20 0.52
▸ AGTR2 P50052 1/20 0.52

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
SCHEMBL30446282 1.00 NTSR2 (0.54) NTSR2NTSR1SORT1AGTR1AGTR2
SCHEMBL29548836 0.95 SLC6A2 (0.60) NTSR2NTSR1SORT1AGTR1AGTR2
SCHEMBL30445678 0.95 SLC6A2 (0.60) NTSR2NTSR1SORT1AGTR1AGTR2
SCHEMBL30050570 0.92 OPRM1 (0.54) —
SCHEMBL29416554 0.90 SLC6A2 (0.64) —
SCHEMBL30304785 0.88 OPRM1 (0.53) —
SCHEMBL29571594 0.88 NTSR1 (0.62) NTSR2NTSR1SORT1
SCHEMBL30690391 0.87 SLC6A2 (0.59) AGTR1AGTR2
SCHEMBL28659786 0.85 OPRM1 (0.68) —
SCHEMBL29630467 0.85 SLC6A2 (0.61) NTSR2NTSR1SORT1AGTR1AGTR2

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-20250009853-A1 MUTANT ACE2 PROTEINS AND METHODS OF USING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-01-09 — — US disclosed
WO-2023102156-A1 MUTANT ACE2 PROTEINS AND METHODS OF USING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-06-08 — — WO disclosed
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