SCHEMBL30795461

SCHEMBL30795461

CCSc1nc(N2CCOCC2CCOC)cc(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.37
CHRM4 P08173 1/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SCD O00767 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2130825 1.00 SRC (0.37) SRCCHRM4LMNATHRBMTOR
SCHEMBL30796456 0.93 CHRM4 (0.36) SRCCHRM4LMNATHRBMTOR
SCHEMBL2132968 0.93 CHRM4 (0.36) SRCCHRM4LMNATHRBMTOR
SCHEMBL2131172 0.93 CHRM4 (0.36) SRCCHRM4LMNATHRBMTOR
SCHEMBL30796177 0.93 CHRM4 (0.36) SRCCHRM4LMNATHRBMTOR
SCHEMBL2129485 0.93 CHRM4 (0.37) SRCCHRM4LMNATHRBTP53
SCHEMBL30795256 0.93 CHRM4 (0.37) SRCCHRM4LMNATHRBTP53
SCHEMBL30795233 0.92 CHRM4 (0.38) SRCCHRM4LMNATHRBTP53
SCHEMBL2129229 0.92 CHRM4 (0.38) SRCCHRM4LMNATHRBTP53
SCHEMBL2131434 0.91 RAF1 (0.41) SRCCHRM4LMNATHRBTP53

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