SCHEMBL29801491

SCHEMBL29801491

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ NTSR1 P30989 6/20 0.56
▸ NTSR2 O95665 5/20 0.56
▸ SORT1 Q99523 4/20 0.56
▸ OPRD1 P41143 1/20 0.54
▸ F2 P00734 1/20 0.53

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
SCHEMBL30273400 0.90 OPRM1 (0.64) OPRM1SLC6A2NTSR1NTSR2SORT1
SCHEMBL30444236 0.89 SLC6A2 (0.62) OPRM1SLC6A2NTSR1NTSR2SORT1
SCHEMBL30690151 0.89 SLC6A2 (0.55) OPRM1SLC6A2NTSR1NTSR2SORT1
SCHEMBL31114383 0.88 OPRM1 (0.68) OPRM1NTSR1NTSR2SORT1OPRD1
SCHEMBL31679387 0.88 OPRM1 (0.66) OPRM1SLC6A2OPRD1F2
SCHEMBL29601772 0.88 OPRM1 (0.58) OPRM1SLC6A2NTSR1NTSR2SORT1
SCHEMBL30612365 0.87 NTSR2 (0.53) OPRM1NTSR1NTSR2OPRD1
SCHEMBL30209473 0.87 SLC6A2 (0.61) OPRM1SLC6A2NTSR1NTSR2SORT1
SCHEMBL31114540 0.87 OPRM1 (0.64) OPRM1SLC6A2NTSR1NTSR2SORT1
SCHEMBL30242503 0.87 SLC6A2 (0.63) OPRM1SLC6A2NTSR1NTSR2SORT1

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-114929726-A Novel peptides and their use in the treatment of inflammation 艾缇亚(上海)制药有限公司 2022-08-19 — — CN claimed
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