SCHEMBL28078871

SCHEMBL28078871

CC(C)(C)OC(=O)c1cc(Cl)c(OC[C@@H]2CCCN(OC(=O)C(C)(C)C)C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.47

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
SCHEMBL28078778 1.00 SCN9A (0.47) SCN9A
SCHEMBL28078802 0.90 SCN9A (0.48) SCN9A
SCHEMBL28831460 0.88 SCN9A (0.48) SCN9A
SCHEMBL28950754 0.88 SCN9A (0.48) SCN9A
SCHEMBL28336084 0.85 SCN9A (0.55) SCN9A
SCHEMBL28336086 0.85 SCN9A (0.55) SCN9A
SCHEMBL17061869 0.85 SCN9A (0.64) SCN9A
SCHEMBL16771031 0.85 SCN9A (0.64) SCN9A
SCHEMBL16771013 0.85 SCN9A (0.64) SCN9A
SCHEMBL28338651 0.85 SCN9A (0.55) SCN9A

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
CN-105793238-A Substituted benzamides and methods of use thereof 基因泰克公司 2016-07-20 — — CN disclosed
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