SCHEMBL30118984

SCHEMBL30118984

CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 13/20 0.47
▸ OPRM1 P35372 12/20 0.47
▸ CXCR4 P61073 3/20 0.44
▸ EPHA2 P29317 3/20 0.42
▸ APLNR P35414 1/20 0.41

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
SCHEMBL9616909 0.96 OPRK1 (0.43) OPRK1OPRM1CXCR4
SCHEMBL11644393 0.96 OPRK1 (0.43) OPRK1OPRM1CXCR4
SCHEMBL9616907 0.96 OPRK1 (0.43) OPRK1OPRM1CXCR4
SCHEMBL30909432 0.94 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909428 0.94 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909423 0.94 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909422 0.94 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909420 0.94 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL31481586 0.94 OPRK1 (0.47) OPRK1OPRM1
SCHEMBL31467772 0.91 EPHA2 (0.41) OPRK1OPRM1CXCR4EPHA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
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