SCHEMBL31514360

SCHEMBL31514360

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ OPRM1 P35372 4/20 0.35
▸ OPRD1 P41143 4/20 0.35
▸ BACE1 P56817 5/20 0.34
▸ MAGI3 Q5TCQ9 1/20 0.34
▸ FNTA P49354 4/20 0.34
▸ FNTB P49356 4/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ MME P08473 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL30645271 0.98 PDCD1LG2 (0.38) PDCD1LG2CD274SLC6A2OPRM1OPRD1
SCHEMBL29590364 0.94 OPRM1 (0.39) SLC6A2OPRM1OPRD1BACE1MAGI3
SCHEMBL31391114 0.92 SLC6A2 (0.36) SLC6A2OPRM1OPRD1BACE1FNTA
SCHEMBL30272502 0.90 MME (0.34) MME
SCHEMBL29630312 0.90 MME (0.34) MME
SCHEMBL31357356 0.90 OPRM1 (0.36) PDCD1LG2CD274OPRM1OPRD1BACE1
SCHEMBL30254475 0.90 OPRM1 (0.39) PDCD1LG2CD274SLC6A2OPRM1OPRD1
SCHEMBL30008256 0.89 BACE1 (0.39) SLC6A2BACE1MMEBACE2
SCHEMBL29559148 0.89 FNTA (0.40) FNTAFNTBMME
SCHEMBL30607295 0.89 OPRD1 (0.37) OPRM1OPRD1BACE1OPRK1

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-119776332-A Enzymatic preparation process of histamine dihydrochloride 上海瀚鸿科技股份有限公司 2025-04-08 — — CN disclosed
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