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SCHEMBL29973237

SCHEMBL29973237

N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 9/20 0.64
▸ OPRM1 P35372 4/20 0.58
▸ OPRD1 P41143 4/20 0.58
▸ NMUR2 Q9GZQ4 3/20 0.53
▸ NMUR1 Q9HB89 3/20 0.53
▸ F2 P00734 1/20 0.52
▸ EPHA2 P29317 1/20 0.52

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
SCHEMBL17887567 1.00 BDKRB2 (0.64) BDKRB2OPRM1OPRD1NMUR2NMUR1
Bradykinin SCHEMBL7949684 0.98 BDKRB2 (0.67) BDKRB2OPRM1OPRD1NMUR2NMUR1
Bradykinin SCHEMBL7949679 0.98 BDKRB2 (0.67) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL17887976 0.96 BDKRB2 (0.59) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL9796839 0.96 BDKRB2 (0.65) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL9796830 0.96 BDKRB2 (0.65) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29972969 0.95 BDKRB2 (0.61) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30672572 0.95 BDKRB2 (0.72) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29973203 0.95 BDKRB2 (0.67) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29750398 0.95 BDKRB2 (0.62) BDKRB2OPRM1OPRD1NMUR2NMUR1

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