SCHEMBL29472198

SCHEMBL29472198

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.58
▸ OPRM1 P35372 9/20 0.58
▸ OPRK1 P41145 2/20 0.58
▸ MME P08473 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 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
SCHEMBL30887562 0.93 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL30104127 0.89 ACE (0.52) OPRD1OPRM1OPRK1MMEACE
SCHEMBL29472190 0.89 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL29994099 0.89 OPRD1 (0.65) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30744159 0.86 OPRD1 (0.61) OPRD1OPRM1OPRK1
Laminin SCHEMBL29359946 0.86 NTSR1 (0.56) OPRD1OPRM1OPRK1
Laminin SCHEMBL29354054 0.86 NTSR1 (0.56) OPRD1OPRM1OPRK1
Laminin SCHEMBL2182800 0.86 OPRD1 (0.55) OPRD1OPRM1OPRK1
Laminin SCHEMBL2182807 0.86 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL28201639 0.85 OPRD1 (0.50) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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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