SCHEMBL30057793

SCHEMBL30057793

CC(=O)N(CC1CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.43
LIPG Q9Y5X9 4/20 0.35
LPL P06858 3/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
F11 P03951 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HIF1A Q16665 5/20 0.34
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LTC4S Q16873 1/20 0.31
P4HB P07237 1/20 0.31
CXCR2 P25025 1/20 0.31

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
SCHEMBL24685618 0.86 AAK1 (0.37) ROCK1LIPGLPLF11F2
SCHEMBL30058336 0.86 AAK1 (0.37) ROCK1LIPGLPLF11F2
SCHEMBL30059622 0.84 ROCK1 (0.33) ROCK1LIPGLPLF11F2
SCHEMBL24685032 0.83 HIF1A (0.36) ROCK1LIPGLPLBACE1F11
SCHEMBL6454343 0.78 CYP3A4 (0.42) CYP3A4
SCHEMBL2558324 0.75 ROCK1 (0.43) ROCK1LIPGLPLBACE1BACE2
SCHEMBL17423909 0.73 ROCK1 (0.45) ROCK1LIPGLPLBACE1BACE2
SCHEMBL2548581 0.73 ROCK1 (0.41) ROCK1LIPGLPLBACE1BACE2
SCHEMBL13718426 0.72 LPL (0.49) ROCK1LIPGLPLBACE1BACE2
SCHEMBL28981113 0.71 CNR2 (0.47) ROCK1HIF1ACA1CA2CA9

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-4337639-A1 NAMPT INHIBITORS AND USES THEREOF Remedy Plan, Inc. (US) 2024-03-20 EP disclosed
WO-2022241257-A1 NAMPT INHBITORS AND USES THEREOF REMEDY PLAN, INC. (US) 2022-11-17 WO disclosed