SCHEMBL4749434

SCHEMBL4749434

Cc1c(F)cccc1C1C(C(=O)c2ccccc2O)CN(CCCCN(C)C)CC1C(=O)N1CCC[C@H]1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
ACHE P22303 1/20 0.31
KIF11 P52732 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
SLC6A1 P30531 3/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
HSD11B1 P28845 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
SCHEMBL4749070 0.93 SLC6A1 (0.36) SCN9AACHEKIF11SLC6A1KMT2A
SCHEMBL4749462 0.90 KIF11 (0.34) SCN9AACHEKIF11SLC6A1
SCHEMBL4751838 0.90 KIF11 (0.34) SCN9AACHEKIF11SLC6A1
SCHEMBL4749467 0.90 KIF11 (0.34) SCN9AACHEKIF11SLC6A1
SCHEMBL4749435 0.90 KIF11 (0.34) SCN9AACHEKIF11SLC6A1
SCHEMBL4751839 0.90 KIF11 (0.34) SCN9AACHEKIF11SLC6A1
SCHEMBL4749135 0.89 SLC6A5 (0.32) SCN9AACHEKIF11KMT2AMEN1
SCHEMBL4752003 0.88 BCHE (0.34) SCN9AACHEKMT2AMEN1
SCHEMBL4019044 0.88 BCHE (0.34) SCN9AACHEKMT2AMEN1
SCHEMBL4752006 0.88 BCHE (0.34) SCN9AACHEKMT2AMEN1

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed