SCHEMBL29472190

SCHEMBL29472190

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.54
▸ OPRM1 P35372 8/20 0.54
▸ OPRK1 P41145 2/20 0.52
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ ERAP2 Q6P179 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ KISS1R Q969F8 2/20 0.47

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
SCHEMBL29472195 0.92 F2 (0.52) OPRD1OPRM1OPRK1NTSR2NTSR1
SCHEMBL9294767 0.91 NTSR2 (0.59) OPRD1OPRM1NTSR2NTSR1ERAP2
SCHEMBL9294748 0.91 NTSR2 (0.59) OPRD1OPRM1NTSR2NTSR1ERAP2
Laminin SCHEMBL2182800 0.89 OPRD1 (0.55) OPRD1OPRM1OPRK1KISS1R
Laminin SCHEMBL29359946 0.89 NTSR1 (0.56) OPRD1OPRM1OPRK1NTSR2NTSR1
Laminin SCHEMBL29354054 0.89 NTSR1 (0.56) OPRD1OPRM1OPRK1NTSR2NTSR1
Laminin SCHEMBL2182807 0.89 OPRD1 (0.55) OPRD1OPRM1OPRK1KISS1R
SCHEMBL29472198 0.89 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL30973964 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29780331 0.88 NTSR1 (0.59) NTSR2NTSR1ERAP2LNPEPF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353546-B Preparation and application of oligopeptide modified bisindolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2024-10-08 — — CN claimed
CN-115353546-A Preparation and application of oligopeptide-modified bis-indolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2022-11-18 — — CN claimed
CN-109134605-B 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSK, and synthesis, activity and application thereof 首都医科大学 2022-04-22 — — CN claimed
CN-115353546-B Preparation and application of oligopeptide modified bisindolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2024-10-08 — — CN disclosed
CN-115353546-B Preparation and application of oligopeptide modified bisindolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2024-10-08 — — CN disclosed
CN-115353546-A Preparation and application of oligopeptide-modified bis-indolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2022-11-18 — — CN disclosed
CN-115353546-A Preparation and application of oligopeptide-modified bis-indolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2022-11-18 — — CN disclosed
CN-109134605-B 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSK, and synthesis, activity and application thereof 首都医科大学 2022-04-22 — — CN disclosed
CN-109134603-B 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSR, and synthesis, activity and application thereof 首都医科大学 2022-04-22 — — CN disclosed
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