SCHEMBL17423071

SCHEMBL17423071

O=C(O)C1CCC(C(=O)c2cc(C3CC3)c(COc3cc(Cl)cc(OC(F)(F)F)c3)cc2F)N1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.59
▸ FFAR4 Q5NUL3 2/20 0.37
▸ SCN5A Q14524 2/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ FFAR2 O15552 1/20 0.31

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
SCHEMBL15543440 0.86 SCN9A (0.68) SCN9AFFAR4SCN5ASCN7ASCN1A
SCHEMBL17428627 0.83 SCN9A (0.67) SCN9AFFAR4SCN5ASCN7ASCN1A
SCHEMBL21075477 0.81 SCN9A (0.69) SCN9AFFAR4SCN5ASCN7A
SCHEMBL15599056 0.81 SCN9A (0.64) SCN9AFFAR4SCN5ASCN7ASCN1A
SCHEMBL17423164 0.79 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL17428454 0.79 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL19064841 0.79 SCN9A (0.59) SCN9AFFAR4SCN5ASCN7ASCN1A
SCHEMBL19430740 0.79 SCN9A (0.68) SCN9AFFAR4SCN5ASCN7A
SCHEMBL20680118 0.78 SCN9A (0.64) SCN9AFFAR4SCN5ASCN7A
SCHEMBL21075815 0.78 SCN9A (0.64) SCN9AFFAR4SCN5ASCN7A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2017-05-17 — — EP disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO disclosed
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