SCHEMBL30795249

SCHEMBL30795249

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
PDE10A Q9Y233 1/20 0.38
NTRK1 P04629 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCD O00767 2/20 0.37
S1PR3 Q99500 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
SCHEMBL2129732 1.00 CHRM4 (0.40) CHRM4PDE10ANTRK1HRH4ROCK2
SCHEMBL2132046 0.94 NAPEPLD (0.41) CHRM4NTRK1POLBTP53SMN1; SMN2
SCHEMBL30795526 0.94 NAPEPLD (0.41) CHRM4NTRK1POLBTP53SMN1; SMN2
SCHEMBL2129598 0.92 NTRK1 (0.40) CHRM4PDE10ANTRK1POLBTP53
SCHEMBL30795454 0.92 NTRK1 (0.40) CHRM4PDE10ANTRK1POLBTP53
SCHEMBL30795304 0.91 CHRM4 (0.40) CHRM4HRH4ALDH1A1LMNAHPGD
SCHEMBL2128752 0.91 CHRM4 (0.40) CHRM4HRH4ALDH1A1LMNAHPGD
SCHEMBL30795171 0.90 CHRM4 (0.38) CHRM4PDE10AHRH4ROCK2ROCK1
SCHEMBL2129516 0.90 CHRM4 (0.38) CHRM4PDE10AHRH4ROCK2ROCK1
SCHEMBL2129882 0.88 ALDH1A1 (0.40) CHRM4HRH4ROCK2ALDH1A1LMNA

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