SCHEMBL31316619

SCHEMBL31316619

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.53
OPRM1 P35372 7/20 0.53
OPRD1 P41143 4/20 0.53
NMUR2 Q9GZQ4 4/20 0.51
NMUR1 Q9HB89 4/20 0.51
SLC6A2 P23975 1/20 0.51
OPRK1 P41145 2/20 0.49
EPHA2 P29317 1/20 0.49
BDKRB2 P30411 1/20 0.48

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
SCHEMBL30233902 0.94 OPRM1 (0.62) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL29934589 0.94 OPRM1 (0.58) F2OPRM1OPRD1SLC6A2OPRK1
SCHEMBL29619342 0.94 NMUR2 (0.55) F2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29973451 0.91 NMUR2 (0.60) OPRM1OPRD1NMUR2NMUR1OPRK1
SCHEMBL30958041 0.91 F2 (0.60) F2OPRM1NMUR2NMUR1OPRK1
SCHEMBL30782709 0.90 OPRM1 (0.62) F2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31289578 0.90 OPRM1 (0.57) F2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29800433 0.90 NRP1 (0.48) F2NMUR2NMUR1EPHA2BDKRB2
SCHEMBL2778546 0.90 F2 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL6850160 0.90 F2 (0.57) F2OPRM1OPRD1OPRK1

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-119193749-A Preparation method of walnut hypolipidemic peptide 北京林业大学 2024-12-27 CN disclosed