SCHEMBL8502228

SCHEMBL8502228

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CC(N4Cc5ccccc5C4=O)C3)c21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 10/20 0.33
▸ SCN5A Q14524 10/20 0.33
▸ SCN9A Q15858 10/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MTR Q99707 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ C5AR1 P21730 1/20 0.31
▸ AOC3 Q16853 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL8664320 0.94 SCN1A (0.36) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8503698 0.94 SCN1A (0.33) SCN1ASCN5ASCN9AGAANPSR1
SCHEMBL8503790 0.92 SCN1A (0.32) SCN1ASCN5ASCN9AGAANPSR1
SCHEMBL8479245 0.92 SCN1A (0.39) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8664246 0.88 SCN1A (0.35) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8666693 0.87 SCN1A (0.35) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8503622 0.86 SCN1A (0.34) SCN1ASCN5ASCN9AGAANPSR1
SCHEMBL8487923 0.86 SCN1A (0.38) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8479606 0.85 SCN1A (0.37) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8503019 0.84 SCN1A (0.34) SCN1ASCN5ASCN9AGAANPSR1

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
US-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
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