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SCHEMBL29679964

SCHEMBL29679964

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.64
▸ SLC6A2 P23975 1/20 0.57
▸ OPRM1 P35372 1/20 0.55
▸ OPRK1 P41145 1/20 0.55

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
SCHEMBL29679773 0.93 OPRD1 (0.64) OPRD1OPRM1
SCHEMBL29679968 0.92 OPRD1 (0.56) OPRD1
SCHEMBL29679723 0.91 OPRD1 (0.55) OPRD1
SCHEMBL30712927 0.87 NPY2R (0.59) OPRD1
SCHEMBL30350078 0.86 OPRD1 (0.61) OPRD1OPRM1
SCHEMBL29728182 0.84 OPRD1 (0.64) OPRD1OPRM1
SCHEMBL30844085 0.84 KEAP1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL29728181 0.84 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL29679507 0.84 SLC6A2 (0.61) OPRD1SLC6A2OPRM1OPRK1
SCHEMBL31453289 0.83 SLC6A2 (0.63) OPRD1SLC6A2OPRM1OPRK1

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO claimed
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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