SCHEMBL30795331

SCHEMBL30795331

CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)c(F)c2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.60
KCNQ3 O43525 6/20 0.60
KCNQ4 P56696 3/20 0.60
KCNQ5 Q9NR82 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
TBXA2R P21731 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL2069355 1.00 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30796381 0.89 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL3102081 0.89 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL27620871 0.88 KCNQ2 (0.58) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30796364 0.85 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL2070590 0.85 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL6002980 0.84 KCNQ2 (0.54) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL3104590 0.84 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30794440 0.84 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30795662 0.83 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed