SCHEMBL30645271

SCHEMBL30645271

C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ MME P08473 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ MAGI3 Q5TCQ9 1/20 0.32

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
SCHEMBL31514360 0.98 PDCD1LG2 (0.37) PDCD1LG2CD274MMESLC6A2OPRM1
SCHEMBL31391114 0.94 SLC6A2 (0.36) MMESLC6A2OPRM1OPRD1BACE1
SCHEMBL29590364 0.92 OPRM1 (0.39) SLC6A2OPRM1OPRD1BACE1MAGI3
SCHEMBL31357356 0.92 OPRM1 (0.36) PDCD1LG2CD274MMEOPRM1OPRD1
SCHEMBL29559148 0.91 FNTA (0.40) MME
SCHEMBL30008256 0.91 BACE1 (0.39) MMESLC6A2BACE1
SCHEMBL30559586 0.90 MME (0.36) MME
SCHEMBL2132230 0.90 MME (0.36) MME
SCHEMBL2132240 0.90 MME (0.36) MME
SCHEMBL30261968 0.90 BACE1 (0.39) PDCD1LG2CD274MMESLC6A2BACE1

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-117024521-A DEC205 affinity peptide, coding nucleic acid and application thereof 郑州大学 2023-11-10 — — CN disclosed
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