SCHEMBL30795449

SCHEMBL30795449

CCSc1nc(N2CC(C)OC(C)C2)cc(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM4 P08173 1/20 0.39
THRB P10828 1/20 0.38
MMP13 P45452 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
SCD O00767 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2129882 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL2128390 0.91 AKT1 (0.41) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL2128228 0.91 AKT1 (0.41) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL30796059 0.91 AKT1 (0.41) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL30794936 0.91 AKT1 (0.41) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL2128229 0.91 AKT1 (0.41) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL30796048 0.91 POLB (0.39) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL2129192 0.91 POLB (0.39) ALDH1A1LMNAHPGDCHRM4THRB
SCHEMBL30795304 0.91 CHRM4 (0.40) ALDH1A1GAALMNAHPGDCHRM4
SCHEMBL2128752 0.91 CHRM4 (0.40) ALDH1A1GAALMNAHPGDCHRM4

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