SCHEMBL30722344

SCHEMBL30722344

[2H]C1CC(N(CCc2ccccc2)C(=O)OC(C)(C)C)CN1[2H]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
HSD11B1 P28845 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 6/20 0.39
MBTPS1 Q14703 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DAGLB Q8NCG7 2/20 0.36
DAGLA Q9Y4D2 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL19260910 0.81 OPRM1 (0.45) OPRM1HSD11B1PKML3MBTL1MBTPS1
Formic Acid SCHEMBL27903276 0.79 L3MBTL1 (0.47) OPRM1HSD11B1PKML3MBTL1KMT2A
SCHEMBL30722353 0.78 HSD11B1 (0.39) OPRM1HSD11B1PKML3MBTL1KMT2A
SCHEMBL26966058 0.78 HSD11B1 (0.39) OPRM1HSD11B1PKML3MBTL1KMT2A
SCHEMBL2800413 0.75 L3MBTL1 (0.42) HSD11B1L3MBTL1MBTPS1CYP2D6SLC6A2
SCHEMBL997079 0.75 L3MBTL1 (0.41) OPRM1HSD11B1PKML3MBTL1KMT2A
SCHEMBL2968353 0.75 L3MBTL1 (0.41) OPRM1HSD11B1PKML3MBTL1KMT2A
SCHEMBL162237 0.75 L3MBTL1 (0.41) OPRM1HSD11B1PKML3MBTL1KMT2A
SCHEMBL5534758 0.73 OPRM1 (0.60) OPRM1PKM
SCHEMBL5654759 0.72 DRD2 (0.38) OPRM1HSD11B1PKM

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
EP-4540267-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2025-04-23 EP disclosed
WO-2023244554-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 WO disclosed