SCHEMBL21075711

SCHEMBL21075711

C#CC1C2C1N(Cc1cc(F)c(C(=O)N3CCC[C@H]3C(=O)O)cc1C1CC1)CC[C@H]2Oc1cc(Cl)cc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.43
▸ GYS1 P13807 8/20 0.34
▸ SCN7A Q01118 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL17428303 0.83 SCN9A (0.48) SCN9ASCN7ASCN5A
SCHEMBL17423024 0.83 SCN9A (0.48) SCN9ASCN7ASCN5A
SCHEMBL19084009 0.82 SCN9A (0.44) SCN9AGYS1SCN7ASCN5A
SCHEMBL19084006 0.82 SCN9A (0.44) SCN9AGYS1SCN7ASCN5A
Trifluoroacetic Acid SCHEMBL19064935 0.81 SCN9A (0.47) SCN9ASCN7ASCN5A
SCHEMBL17428435 0.81 SCN9A (0.55) SCN9AGYS1SCN7ASCN5AFFAR4
Trifluoroacetic Acid SCHEMBL17423118 0.81 SCN9A (0.47) SCN9ASCN7ASCN5A
SCHEMBL17428454 0.81 SCN9A (0.64) SCN9AGYS1SCN7ASCN5A
SCHEMBL17423164 0.81 SCN9A (0.64) SCN9AGYS1SCN7ASCN5A
Trifluoroacetic Acid SCHEMBL19064795 0.80 SCN9A (0.53) SCN9AGYS1SCN7ASCN5A

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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