SCHEMBL21075336

SCHEMBL21075336

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c(OCC23CC4CC(CC2C4)C3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.44
SCN5A Q14524 4/20 0.43

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
SCHEMBL21075350 0.91 SCN9A (0.44) SCN9ASCN5A
SCHEMBL17423255 0.91 SCN9A (0.53) SCN9ASCN5A
SCHEMBL17423253 0.91 SCN9A (0.53) SCN9ASCN5A
SCHEMBL21075630 0.90 SCN9A (0.47) SCN9ASCN5A
SCHEMBL17428828 0.88 SCN9A (0.47) SCN9ASCN5A
SCHEMBL19064949 0.87 SCN9A (0.57) SCN9ASCN5A
SCHEMBL17428600 0.87 SCN9A (0.57) SCN9ASCN5A
SCHEMBL20280368 0.87 SCN9A (0.57) SCN9ASCN5A
SCHEMBL20697818 0.86 SCN9A (0.41) SCN9ASCN5A
SCHEMBL21075107 0.85 ROCK2 (0.46) 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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed