SCHEMBL30794865

SCHEMBL30794865

Cc1ccc(CC(=O)Nc2c(C)cc(N3CCOCC3)nc2C)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.50
AKT1 P31749 9/20 0.48
PIK3CD O00329 6/20 0.48
PIK3CB P42338 6/20 0.48
CYP3A4 P08684 3/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 1/20 0.45
GBA1 P04062 1/20 0.45
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL973838 1.00 WNT3A (0.50) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL30795276 0.91 WNT3A (0.52) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL970919 0.91 WNT3A (0.52) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL971761 0.91 GAA (0.56) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL969480 0.90 AKT1 (0.53) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL971878 0.90 AKT1 (0.49) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL30824718 0.90 AKT1 (0.49) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL30824698 0.89 PIK3CD (0.54) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL968661 0.89 AKT1 (0.52) WNT3AAKT1PIK3CDPIK3CBCYP3A4
SCHEMBL973883 0.89 PIK3CD (0.54) WNT3AAKT1PIK3CDPIK3CBCYP3A4

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