SCHEMBL30795162

SCHEMBL30795162

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(COC)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
S1PR3 Q99500 1/20 0.39
PPARG P37231 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
PIK3CG P48736 2/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL2128099 1.00 AKT1 (0.41) AKT1S1PR3PPARGALDH1A1KDM4E
SCHEMBL2128625 0.94 AKT1 (0.46) AKT1S1PR3PPARGALDH1A1KDM4E
SCHEMBL30796332 0.94 AKT1 (0.46) AKT1S1PR3PPARGALDH1A1KDM4E
SCHEMBL30794667 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTKLKB1KLK1
SCHEMBL2134179 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTKLKB1KLK1
SCHEMBL2129948 0.89 PPARG (0.47) AKT1S1PR3PPARGALDH1A1KDM4E
SCHEMBL2129429 0.89 ALDH2 (0.46) PPARGALDH1A1KDM4EMAPTPIK3CG
SCHEMBL30795938 0.89 ALDH2 (0.46) PPARGALDH1A1KDM4EMAPTPIK3CG
SCHEMBL30795660 0.88 MMP13 (0.44) AKT1S1PR3PPARGALDH1A1KDM4E
SCHEMBL2130655 0.88 MMP13 (0.44) AKT1S1PR3PPARGALDH1A1KDM4E

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