SCHEMBL30950645

SCHEMBL30950645

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CTSB P07858 1/20 0.43
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL30950658 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL30690380 0.92 CTSB (0.47) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL30690370 0.91 CTSB (0.46) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL30930142 0.88 BACE1 (0.44) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL31462059 0.88 OPRM1 (0.45) OPRM1OPRD1OPRK1CTSB
SCHEMBL30997415 0.87 BACE1 (0.43) OPRM1OPRD1OPRK1BACE1
SCHEMBL31462114 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL31462038 0.86 CTSD (0.42) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL31643053 0.85 CTSB (0.46) OPRM1OPRD1CTSBBACE1
SCHEMBL31462057 0.85 CTSD (0.43) OPRM1OPRD1OPRK1CTSBBACE1

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-118240017-A Tumor tissue affinity peptide and application thereof 中国药科大学 2024-06-25 — — CN disclosed
CN-118240017-A Tumor tissue affinity peptide and application thereof 中国药科大学 2024-06-25 — — CN disclosed
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