SCHEMBL30877897

SCHEMBL30877897

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.51
▸ APLNR P35414 1/20 0.48
▸ OPRK1 P41145 1/20 0.46
▸ NTSR2 O95665 5/20 0.46
▸ NTSR1 P30989 5/20 0.46
▸ NTMT1 Q9BV86 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ SORT1 Q99523 3/20 0.44
▸ CAPN1 P07384 2/20 0.44

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
SCHEMBL30555204 0.88 ACE (0.51) ACEAPLNROPRK1NTSR2NTSR1
SCHEMBL29473876 0.86 CAPN1 (0.47) ACEAPLNRNTSR2NTSR1NTMT1
SCHEMBL29473888 0.85 CAPN1 (0.47) ACEAPLNROPRK1NTSR2NTSR1
SCHEMBL413760 0.84 NTSR2 (0.52) NTSR2NTSR1SORT1CAPN1
SCHEMBL413759 0.84 NTSR2 (0.52) NTSR2NTSR1SORT1CAPN1
SCHEMBL29409430 0.84 OPRK1 (0.55) ACEOPRK1NTSR2NTSR1
SCHEMBL29524168 0.84 OPRK1 (0.53) ACEOPRK1NTSR2NTSR1SORT1
SCHEMBL29801920 0.84 ACE (0.52) ACEOPRK1NTSR2NTSR1
SCHEMBL30439138 0.83 NTSR1 (0.55) ACEOPRK1NTSR2NTSR1SORT1
SCHEMBL31114414 0.83 ACE (0.53) ACEOPRK1NTSR2NTSR1NTMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117969717-A Method for detecting total content of characteristic tripeptides in collagen peptide 中国海洋大学三亚海洋研究院 2024-05-03 — — CN disclosed
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