SCHEMBL30795702

SCHEMBL30795702

CCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.64
KCNQ3 O43525 7/20 0.64
KCNQ4 P56696 4/20 0.62
KCNQ5 Q9NR82 4/20 0.62
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
TBXA2R P21731 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
SHMT2 P34897 1/20 0.47

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
SCHEMBL3100981 1.00 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL30795039 0.90 KCNQ2 (0.68) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL3101385 0.90 KCNQ2 (0.68) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL30795662 0.90 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL3109805 0.90 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL30795708 0.88 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL3107079 0.88 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL30796328 0.86 KCNQ3 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL3102289 0.86 KCNQ3 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL3890111 0.86 KCNQ2 (0.78) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2

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