SCHEMBL31230203

SCHEMBL31230203

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

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.60
▸ OPRD1 P41143 3/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ CTSB P07858 1/20 0.52
▸ BACE1 P56817 1/20 0.50
▸ BACE2 Q9Y5Z0 1/20 0.50

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
SCHEMBL29973377 0.95 OPRM1 (0.56) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL29678374 0.93 OPRM1 (0.52) OPRM1OPRD1OPRK1CTSB
SCHEMBL29678509 0.91 NPY4R (0.60) —
SCHEMBL29569383 0.90 OPRM1 (0.57) OPRM1OPRD1OPRK1CTSB
SCHEMBL29406603 0.87 CTSB (0.54) OPRM1OPRD1OPRK1CTSBBACE1
SCHEMBL29678561 0.85 CCKAR (0.51) OPRM1OPRD1OPRK1
SCHEMBL29678344 0.83 NPY4R (0.56) —
SCHEMBL31332318 0.82 QRFPR (0.57) OPRM1OPRD1OPRK1
SCHEMBL2189862 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL29678408 0.81 PSEN1 (0.45) BACE1BACE2

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
EP-3509574-B1 MEDICINAL USE OF SERRULATANE DITERPENES KYNAN DUKE IP LLC (US) 2024-11-27 — — EP disclosed
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