SCHEMBL29917308

SCHEMBL29917308

CCCc1ccccc1-c1cnc(Oc2c(C)cc(C)cc2C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.40
SCN5A Q14524 4/20 0.39

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
SCHEMBL17647019 1.00 SCN9A (0.40) SCN9ASCN5A
SCHEMBL29917704 0.94 SCN9A (0.41) SCN9ASCN5A
SCHEMBL17647474 0.94 SCN9A (0.41) SCN9ASCN5A
SCHEMBL29916286 0.90 SCN9A (0.44) SCN9ASCN5A
SCHEMBL17646955 0.90 SCN9A (0.44) SCN9ASCN5A
SCHEMBL17648053 0.86 SCN9A (0.48) SCN9ASCN5A
SCHEMBL29918108 0.86 SCN9A (0.41) SCN9ASCN5A
SCHEMBL17648993 0.86 SCN9A (0.41) SCN9ASCN5A
SCHEMBL29916409 0.86 SCN9A (0.48) SCN9ASCN5A
SCHEMBL17647583 0.82 SCN9A (0.37) SCN9ASCN5A

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
EP-3798214-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2022-09-14 EP claimed