SCHEMBL30320500

SCHEMBL30320500

CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ OPRK1 P41145 3/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ FOLH1 Q04609 1/20 0.39
▸ MME P08473 3/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ GLO1 Q04760 1/20 0.38

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
SCHEMBL29360974 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1FOLH1
SCHEMBL31487991 0.91 OPRM1 (0.47) OPRM1OPRD1OPRK1NOD1FOLH1
SCHEMBL29669901 0.89 FOLH1 (0.47) OPRM1OPRD1OPRK1NOD1FOLH1
SCHEMBL30853510 0.89 NOD1 (0.45) OPRM1OPRD1OPRK1NOD1FOLH1
SCHEMBL29663887 0.87 FOLH1 (0.46) NOD1FOLH1MMEDPP4DPP8
SCHEMBL30381811 0.87 FOLH1 (0.46) OPRM1OPRD1OPRK1FOLH1GLO1
SCHEMBL30720462 0.87 OPRM1 (0.42) OPRM1OPRD1OPRK1FOLH1
SCHEMBL29772029 0.87 OPRM1 (0.46) OPRM1OPRD1OPRK1FOLH1
SCHEMBL30563224 0.86 OPRD1 (0.48) OPRM1OPRD1OPRK1NOD1FOLH1
SCHEMBL30591091 0.86 TASP1 (0.46) NOD1FOLH1MMEDPP4DPP8

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-111269289-B Tumor cell affinity peptide separated from venenum bufonis and screening method thereof 南京中医药大学 2023-04-18 — — CN disclosed
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