SCHEMBL30420523

SCHEMBL30420523

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ NTSR1 P30989 4/20 0.52
▸ NTSR2 O95665 1/20 0.51
▸ NMUR2 Q9GZQ4 4/20 0.51
▸ CXCL8 P10145 3/20 0.51
▸ NMUR1 Q9HB89 3/20 0.50
▸ NPY1R P25929 2/20 0.50
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 1/20 0.50
▸ F2 P00734 1/20 0.50

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
SCHEMBL30745223 0.90 SLC6A2 (0.56) NTSR1NTSR2NMUR2NPY1R
SCHEMBL30420836 0.89 NAA50 (0.50) OPRM1OPRD1NTSR1RAMP3CALCR
SCHEMBL30419465 0.88 NAA50 (0.53) NMUR2CXCL8NMUR1NPY1RRAMP3
SCHEMBL30420364 0.88 NAA50 (0.49) OPRM1OPRD1NMUR2NMUR1RAMP3
SCHEMBL30767697 0.86 CALCR (0.59) OPRM1OPRD1NTSR1RAMP3CALCR
SCHEMBL30767678 0.85 CALCR (0.57) OPRM1OPRD1NTSR1NTSR2RAMP3
SCHEMBL29419165 0.84 OPRD1 (0.61) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29896174 0.83 SLC6A2 (0.56) OPRM1OPRD1NTSR1NTSR2CXCL8
SCHEMBL30567427 0.83 OPRM1 (0.56) OPRM1OPRD1
SCHEMBL29569464 0.83 OPRM1 (0.55) OPRM1OPRD1NTSR1NTSR2

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
CN-116350760-A Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines 郑州大学 2023-06-30 — — CN disclosed
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