SCHEMBL30607221

SCHEMBL30607221

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.55
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 3/20 0.54
▸ CTSD P07339 1/20 0.54
▸ OPRK1 P41145 1/20 0.52
▸ CTSB P07858 1/20 0.51

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
SCHEMBL30658359 0.85 OPRM1 (0.61) BACE1OPRM1OPRD1CTSDOPRK1
SCHEMBL30658229 0.85 OPRM1 (0.58) BACE1OPRM1OPRD1CTSDOPRK1
SCHEMBL30462285 0.84 OPRD1 (0.63) BACE1OPRM1OPRD1OPRK1CTSB
SCHEMBL29602768 0.83 OPRM1 (0.62) BACE1OPRM1OPRD1CTSDOPRK1
SCHEMBL30799501 0.83 BACE1 (0.67) BACE1CTSD
SCHEMBL31511418 0.82 BACE1 (0.57) BACE1CTSD
SCHEMBL29789553 0.82 OPRM1 (0.62) OPRM1OPRD1OPRK1CTSB
SCHEMBL31474502 0.81 OPRM1 (0.53) BACE1OPRM1OPRD1CTSD
SCHEMBL30354167 0.81 BACE1 (0.57) BACE1OPRM1OPRD1CTSD
SCHEMBL29461959 0.81 OPRM1 (0.62) BACE1OPRM1OPRD1OPRK1CTSB

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-114057834-B Polypeptide for promoting pig organism to generate broad-spectrum immune response and application thereof 中国农业科学院兰州兽医研究所 2023-10-27 — — CN disclosed
CN-114044806-B Polypeptide for promoting pig organism to generate broad-spectrum immune response and application thereof 中国农业科学院兰州兽医研究所 2023-10-24 — — CN disclosed
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