SCHEMBL30794828

SCHEMBL30794828

CCOc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
RAF1 P04049 5/20 0.42
BRAF P15056 5/20 0.42
TP53 P04637 3/20 0.42
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
CHEK1 O14757 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GABRA1 P14867 2/20 0.39
HTR1A P08908 1/20 0.39
NUDT1 P36639 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
SCHEMBL2129092 1.00 KCNQ3 (0.47) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL2129218 0.92 MEN1 (0.46) RAF1BRAFTP53MEN1KMT2A
SCHEMBL2129472 0.91 KCNQ3 (0.58) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL2127927 0.87 KCNQ3 (0.51) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL2132876 0.87 KMT2A (0.47) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL30794912 0.87 KCNQ3 (0.51) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL2128948 0.85 ALDH1A1 (0.43) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL2128601 0.85 ALDH1A1 (0.43) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL30795028 0.85 ALDH1A1 (0.43) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL2727375 0.84 ALDH1A1 (0.44) KCNQ3KCNQ2ALDH1A1GAATSHR

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