SCHEMBL31357930

SCHEMBL31357930

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.56
▸ OPRD1 P41143 4/20 0.56
▸ CTSD P07339 6/20 0.53
▸ OPRK1 P41145 1/20 0.51
▸ BACE1 P56817 1/20 0.48

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
SCHEMBL30051238 0.91 CTSD (0.58) OPRM1OPRD1CTSDBACE1
SCHEMBL30122976 0.90 OPRM1 (0.56) OPRM1OPRD1OPRK1BACE1
SCHEMBL30815890 0.88 CTSD (0.54) OPRM1OPRD1CTSDBACE1
SCHEMBL30504227 0.87 OPRM1 (0.62) OPRM1OPRD1BACE1
SCHEMBL30904490 0.87 OPRM1 (0.61) OPRM1OPRD1CTSDOPRK1BACE1
SCHEMBL30785946 0.87 OPRM1 (0.65) OPRM1OPRD1OPRK1BACE1
SCHEMBL31590754 0.86 MME (0.52) OPRM1OPRD1CTSD
SCHEMBL30272462 0.85 CTSD (0.59) CTSD
SCHEMBL30053045 0.85 CTSD (0.61) CTSDBACE1
SCHEMBL31357968 0.85 MAGI3 (0.63) —

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-119241645-A Separation and purification method and structure of SERRAWETTIN W class 2 structural analogue 陕西师范大学 2025-01-03 — — CN disclosed
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