SCHEMBL30795258

SCHEMBL30795258

Cc1cc(C)cc(CC(=O)Nc2c(C)cc(N3CCOCC3)nc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.46
AKT1 P31749 11/20 0.46
PIK3CD O00329 6/20 0.46
PIK3CB P42338 6/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 2/20 0.46
CYP3A4 P08684 2/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GBA1 P04062 3/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL969865 1.00 WNT3A (0.46) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL30795276 0.90 WNT3A (0.52) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL970919 0.90 WNT3A (0.52) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL30794674 0.89 AKT1 (0.54) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL970638 0.89 AKT1 (0.54) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL30795411 0.88 SMN1; SMN2 (0.55) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL971254 0.88 SMN1; SMN2 (0.55) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL30794865 0.88 WNT3A (0.50) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL973838 0.88 WNT3A (0.50) WNT3AAKT1PIK3CDPIK3CBPIK3CA
SCHEMBL30824698 0.86 PIK3CD (0.54) WNT3AAKT1PIK3CDPIK3CBPIK3CA

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