SCHEMBL30597855

SCHEMBL30597855

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 12/20 0.55
▸ NTSR2 O95665 9/20 0.55
▸ SORT1 Q99523 8/20 0.55
▸ SLC6A2 P23975 1/20 0.53
▸ OPRD1 P41143 2/20 0.52
▸ OPRM1 P35372 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
SCHEMBL29574870 0.88 NTSR1 (0.63) NTSR1NTSR2SORT1
SCHEMBL30943512 0.87 NTSR2 (0.56) NTSR1NTSR2SORT1SLC6A2OPRD1
SCHEMBL30034783 0.87 NTSR2 (0.73) NTSR1NTSR2SORT1
SCHEMBL30037824 0.87 NTSR2 (0.73) NTSR1NTSR2SORT1
SCHEMBL30422438 0.86 NTSR1 (0.66) NTSR1NTSR2SORT1
SCHEMBL31167328 0.86 SLC6A2 (0.65) NTSR1NTSR2SORT1SLC6A2OPRD1
SCHEMBL30695568 0.86 OPRM1 (0.56) SLC6A2OPRD1OPRM1
SCHEMBL30597842 0.86 OPRM1 (0.52) SLC6A2OPRD1OPRM1
SCHEMBL5499951 0.85 NPY4R (0.58) NTSR1NTSR2SORT1
SCHEMBL1421888 0.85 OPRD1 (0.69) NTSR1NTSR2SORT1OPRD1OPRM1

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-116693604-A Anti-hangover peptide 郑州大学 2023-09-05 — — CN disclosed
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