SCHEMBL8503790

SCHEMBL8503790

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.32
▸ SCN5A Q14524 4/20 0.32
▸ SCN9A Q15858 4/20 0.32
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MTR Q99707 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
SCHEMBL8503698 0.95 SCN1A (0.33) SCN1ASCN5ASCN9AGAANPSR1
SCHEMBL8666693 0.94 SCN1A (0.35) SCN1ASCN5ASCN9AMTR
SCHEMBL8479606 0.93 SCN1A (0.37) SCN1ASCN5ASCN9AMTR
SCHEMBL8502228 0.92 SCN1A (0.33) SCN1ASCN5ASCN9AGAANPSR1
SCHEMBL8664246 0.90 SCN1A (0.35) SCN1ASCN5ASCN9AMTR
SCHEMBL8487923 0.88 SCN1A (0.38) SCN1ASCN5ASCN9AMTR
SCHEMBL8664320 0.87 SCN1A (0.36) SCN1ASCN5ASCN9AMTR
SCHEMBL8479245 0.85 SCN1A (0.39) SCN1ASCN5ASCN9AMTR
SCHEMBL8627055 0.82 ALDH1A1 (0.34) GAANPSR1
SCHEMBL8503796 0.80 AOC3 (0.30) SCN1ASCN5ASCN9A

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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