SCHEMBL30320511

SCHEMBL30320511

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ KISS1R Q969F8 3/20 0.47
▸ FNTA P49354 4/20 0.46
▸ FNTB P49356 4/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ IL23R Q5VWK5 1/20 0.44

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
SCHEMBL29591302 0.90 BACE1 (0.51) BACE1BACE2KISS1RFNTAFNTB
SCHEMBL31039954 0.90 FNTA (0.51) KISS1RFNTAFNTB
SCHEMBL30122874 0.89 OPRM1 (0.52) BACE1BACE2KISS1RNAALAD2
SCHEMBL29533905 0.88 NAALAD2 (0.53) BACE1FNTAFNTBNAALAD2
SCHEMBL38664549 0.88 GLP1R (0.52) BACE1KISS1RIL23R
SCHEMBL29590246 0.88 KISS1R (0.57) BACE1BACE2KISS1R
SCHEMBL31257026 0.87 BACE1 (0.47) BACE1BACE2KISS1RFNTAFNTB
SCHEMBL31345044 0.86 BACE1 (0.55) BACE1BACE2NAALAD2
SCHEMBL30901008 0.86 BACE1 (0.59) BACE1BACE2FNTAFNTB
SCHEMBL31688330 0.86 KISS1R (0.53) BACE1BACE2KISS1RIL23R

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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