SCHEMBL31127566

SCHEMBL31127566

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.60
▸ OPRD1 P41143 4/20 0.60
▸ SLC6A2 P23975 1/20 0.58
▸ C5AR1 P21730 2/20 0.55
▸ F2 P00734 1/20 0.54

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
SCHEMBL29461549 0.95 F2 (0.60) OPRM1OPRD1SLC6A2F2
SCHEMBL31127558 0.91 F2 (0.60) OPRM1OPRD1SLC6A2C5AR1F2
SCHEMBL29913522 0.91 OPRD1 (0.64) OPRM1OPRD1C5AR1F2
SCHEMBL32691359 0.91 SLC6A2 (0.70) OPRM1OPRD1SLC6A2C5AR1F2
SCHEMBL32691552 0.90 SLC6A2 (0.67) OPRM1OPRD1SLC6A2C5AR1F2
SCHEMBL29641118 0.90 C5AR1 (0.60) OPRM1OPRD1C5AR1F2
SCHEMBL30310199 0.90 OPRK1 (0.55) OPRM1OPRD1SLC6A2F2
SCHEMBL29641093 0.89 C5AR1 (0.64) OPRM1OPRD1C5AR1F2
SCHEMBL31679387 0.89 OPRM1 (0.66) OPRM1OPRD1SLC6A2F2
SCHEMBL29473692 0.88 OPRM1 (0.54) OPRM1OPRD1C5AR1F2

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-118420708-A Urechis unicinctus reconstruction peptide ACE (angiotensin converting enzyme) inhibitory peptide and application thereof in medicines for preventing or treating hypertension 北京石油化工学院 2024-08-02 — — CN disclosed
Send feedback