SCHEMBL30795708

SCHEMBL30795708

CCOC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.60
KCNQ3 O43525 7/20 0.60
KCNQ4 P56696 4/20 0.56
KCNQ5 Q9NR82 4/20 0.56
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE5A O76074 2/20 0.46
FFAR1 O14842 2/20 0.46
RORC P51449 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44
PDE6D O43924 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE6B P35913 1/20 0.44
PDE6C P51160 1/20 0.44
PDE6H Q13956 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL3107079 1.00 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5TSHR
SCHEMBL3109805 0.89 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30795662 0.89 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL3100981 0.88 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30795702 0.88 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5SMN1; SMN2
SCHEMBL30795349 0.88 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5TSHR
SCHEMBL3100552 0.88 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5TSHR
SCHEMBL30794524 0.88 MAPT (0.57) KCNQ2KCNQ3KCNQ4KCNQ5TSHR
SCHEMBL3100849 0.88 MAPT (0.57) KCNQ2KCNQ3KCNQ4KCNQ5TSHR
SCHEMBL30795039 0.87 KCNQ2 (0.68) 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