SCHEMBL30449736

SCHEMBL30449736

CCC(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)cc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.56
SCN10A Q9Y5Y9 2/20 0.45
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
BRD4 O60885 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL22797748 1.00 SCN9A (0.56) SCN9ASCN10APRKAB2PRKAG1PRKAA2
SCHEMBL30449642 0.88 SCN9A (0.53) SCN9APPARD
SCHEMBL22798435 0.88 SCN9A (0.53) SCN9APPARD
SCHEMBL20595163 0.88 SCN9A (0.49) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL22798288 0.86 SCN9A (0.51) SCN9APPARD
SCHEMBL22798328 0.85 SCN9A (0.59) SCN9A
SCHEMBL22798228 0.85 SCN9A (0.51) SCN9A
SCHEMBL22797781 0.85 SCN9A (0.57) SCN9APPARD
SCHEMBL20595155 0.84 SCN9A (0.65) SCN9ASCN10APRKAB2PRKAG1PRKAA2
SCHEMBL22798237 0.84 SCN9A (0.79) SCN9A

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
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN claimed
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed