SCHEMBL31064877

SCHEMBL31064877

C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.53
▸ NTSR1 P30989 8/20 0.52
▸ NTSR2 O95665 6/20 0.52
▸ ACE P12821 1/20 0.51
▸ SORT1 Q99523 4/20 0.51
▸ OPRM1 P35372 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48

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
SCHEMBL29703184 0.88 OPRK1 (0.53) OPRK1ACEOPRM1SLC6A2
SCHEMBL30445781 0.88 NMUR2 (0.57) OPRK1NTSR1NTSR2SORT1OPRM1
SCHEMBL29666030 0.87 SLC6A2 (0.53) OPRK1NTSR1NTSR2ACESORT1
SCHEMBL7759033 0.86 OPRM1 (0.57) OPRK1NTSR1NTSR2ACEOPRM1
SCHEMBL7759054 0.86 OPRM1 (0.57) OPRK1NTSR1NTSR2ACEOPRM1
SCHEMBL9753046 0.86 ACE (0.53) OPRK1NTSR1NTSR2ACESORT1
SCHEMBL9753043 0.86 ACE (0.53) OPRK1NTSR1NTSR2ACESORT1
SCHEMBL31105568 0.85 CALCRL (0.52) NTSR1NTSR2ACESORT1OPRM1
SCHEMBL31362717 0.85 OPRM1 (0.55) OPRK1ACEOPRM1SLC6A2
SCHEMBL29666783 0.85 ACE (0.55) OPRK1ACE

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
CN-118580316-A Application of yam oligopeptide in product with alcohol-induced intestinal injury resistance function 河南省儿童医院郑州儿童医院 2024-09-03 — — CN disclosed
CN-118580316-A Application of yam oligopeptide in product with alcohol-induced intestinal injury resistance function 河南省儿童医院郑州儿童医院 2024-09-03 — — CN disclosed
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