SCHEMBL16992694

SCHEMBL16992694

CO[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 1.00
▸ SCN10A Q9Y5Y9 2/20 0.80
▸ SCN7A Q01118 1/20 0.74
▸ KCNH2 Q12809 1/20 0.74
▸ SCN5A Q14524 1/20 0.74

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
SCHEMBL16967105 1.00 SCN9A (1.00) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL16967106 1.00 SCN9A (1.00) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL16967109 1.00 SCN9A (1.00) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL16967097 0.96 SCN9A (1.00) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL16967095 0.96 SCN9A (1.00) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL16967266 0.92 SCN9A (1.00) SCN9ASCN10A
SCHEMBL16992664 0.92 SCN9A (1.00) SCN9ASCN10A
SCHEMBL16967268 0.92 SCN9A (1.00) SCN9ASCN10A
SCHEMBL16966980 0.92 SCN9A (1.00) SCN9ASCN10A
SCHEMBL16966982 0.92 SCN9A (1.00) SCN9ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102569-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF AbbVie Inc. (US) 2016-12-14 — — EP claimed
WO-2015119998-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF ABBVIE, INC. (US) 2015-08-13 — — WO claimed
EP-3102569-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF AbbVie Inc. (US) 2016-12-14 — — EP disclosed
WO-2015119998-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF ABBVIE, INC. (US) 2015-08-13 — — WO disclosed
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