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SCHEMBL29440673

SCHEMBL29440673

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.63
▸ OPRD1 P41143 1/20 0.63
▸ OPRK1 P41145 1/20 0.63
▸ SLC6A2 P23975 1/20 0.61
▸ NMUR2 Q9GZQ4 1/20 0.60
▸ NMUR1 Q9HB89 1/20 0.60

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
SCHEMBL31447560 1.00 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC6A2NMUR2
Acetic Acid SCHEMBL11289266 0.91 OPRM1 (0.69) OPRM1OPRD1OPRK1
SCHEMBL29485616 0.90 SLC6A2 (0.59) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL29415212 0.90 SLC6A2 (0.59) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL14454335 0.90 SLC6A2 (0.59) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30518298 0.88 SLC6A2 (0.66) OPRM1OPRD1OPRK1SLC6A2
Endomorphin 2 SCHEMBL22649436 0.88 OPRM1 (0.76) OPRM1OPRD1OPRK1
Endomorphin 2 SCHEMBL29577635 0.88 OPRM1 (0.76) OPRM1OPRD1OPRK1
Endomorphin 2 SCHEMBL13252092 0.88 OPRM1 (0.76) OPRM1OPRD1OPRK1
Endomorphin 2 SCHEMBL29387366 0.88 OPRM1 (0.76) OPRM1OPRD1OPRK1

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
EP-4132946-A2 METHODS FOR ASSEMBLING PEPTIDES INTO PEPTIDE AMPHIPHILE NANOFIBERS Northwestern University (US) 2023-02-15 — — EP disclosed
EP-3395372-B1 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM ENHANX BIOPHARM INC (TW) 2022-04-06 — — EP disclosed