SCHEMBL21075556

SCHEMBL21075556

CC1CCCN1C(=O)c1cc(C2CC2)c(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 9/20 0.57
▸ SCN5A Q14524 8/20 0.57
▸ SCN9A Q15858 14/20 0.54
▸ SCN1A P35498 2/20 0.42
▸ SCN4A P35499 2/20 0.42
▸ SCN2A Q99250 2/20 0.42
▸ SCN8A Q9UQD0 2/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ SCN2B O60939 1/20 0.41
▸ SCN1B Q07699 1/20 0.41

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
SCHEMBL19083840 0.90 SCN7A (0.54) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL21075673 0.90 SCN7A (0.54) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL21075405 0.89 SCN7A (0.56) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL19083855 0.89 SCN7A (0.56) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL20697754 0.87 SCN7A (0.52) SCN7ASCN5ASCN9A
SCHEMBL16770715 0.85 SCN7A (0.62) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17428314 0.83 SCN9A (0.67) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17428666 0.83 SCN9A (0.56) SCN7ASCN5ASCN9ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL16759309 0.82 SCN7A (0.59) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL16770802 0.81 SCN7A (0.85) SCN7ASCN5ASCN9ASCN1ASCN4A

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
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