SCHEMBL21075243

SCHEMBL21075243

O=C(c1cc(C2CC2)c(OCC2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1F)N1CCC(F)C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.77
▸ SCN7A Q01118 9/20 0.54
▸ SCN5A Q14524 8/20 0.53
▸ SCN1A P35498 1/20 0.50
▸ SCN4A P35499 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ SCN3A Q9NY46 1/20 0.50
▸ SCN8A Q9UQD0 1/20 0.50
▸ DCPS Q96C86 1/20 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
SCHEMBL17423035 0.88 SCN9A (0.73) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428650 0.87 SCN9A (1.00) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075401 0.86 SCN7A (0.68) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL19075796 0.85 SCN9A (0.85) SCN9ASCN7ASCN5ASCN1ASCN4A
Trifluoroacetic Acid SCHEMBL19064739 0.83 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075310 0.83 SCN9A (0.56) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075609 0.82 SCN9A (0.77) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075259 0.82 SCN9A (0.77) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428649 0.81 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075735 0.80 SCN9A (0.68) SCN9ASCN7ASCN5ASCN1ASCN4A

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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