SCHEMBL28990769

SCHEMBL28990769

COC[C@H](C)C[C@@H](OC(N)=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL28990778 1.00 AOC3 (0.39) AOC3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL28990735 0.90 AOC3 (0.36) AOC3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL28990718 0.90 AOC3 (0.36) AOC3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL28990578 0.86 AOC3 (0.38) AOC3HTT
SCHEMBL28990668 0.86 AOC3 (0.38) AOC3HTT
SCHEMBL28990605 0.81 AOC3 (0.42) AOC3LMNA
SCHEMBL28990773 0.81 AOC3 (0.42) AOC3LMNA
SCHEMBL28990664 0.79 SIGMAR1 (0.41) AOC3
SCHEMBL28990751 0.79 SIGMAR1 (0.41) AOC3
SCHEMBL28990760 0.77 AOC3 (0.38) AOC3

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-111419830-B Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epileptic related syndromes 比皮艾思药物研发有限公司 2024-01-30 CN disclosed
CN-115996905-A Phenylalkyl carbamate compounds for use in preventing or treating neurodegenerative diseases 生物药品解决方案有限公司 2023-04-21 CN disclosed