Sugi Predict

Sugi Predict / Compounds / SCHEMBL29972771

SCHEMBL29972771

SCHEMBL29972771

C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.80
▸ OPRD1 P41143 4/20 0.80
▸ SLC6A2 P23975 1/20 0.63

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
SCHEMBL29973283 1.00 OPRM1 (0.80) OPRM1OPRD1SLC6A2
SCHEMBL31303185 0.97 OPRM1 (0.78) OPRM1OPRD1SLC6A2
SCHEMBL30294044 0.97 OPRM1 (0.77) OPRM1OPRD1SLC6A2
Dermorphin SCHEMBL237169 0.95 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL26342858 0.90 OPRM1 (0.72) OPRM1OPRD1SLC6A2
SCHEMBL29590990 0.90 OPRM1 (0.67) OPRM1OPRD1SLC6A2
SCHEMBL11069657 0.89 OPRD1 (0.65) OPRM1OPRD1
SCHEMBL11065582 0.88 OPRD1 (0.67) OPRM1OPRD1
SCHEMBL11059764 0.87 OPRD1 (0.68) OPRM1OPRD1
SCHEMBL30310086 0.87 OPRM1 (0.64) OPRM1OPRD1SLC6A2

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed