SCHEMBL30795696

SCHEMBL30795696

O=C(CCC(=O)N1CCc2ccccc2C1c1ccccc1)NCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
HHAT Q5VTY9 3/20 0.50
HDAC8 Q9BY41 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
NCOR2 Q9Y618 3/20 0.48
CHRM3 P20309 4/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CACNA1F O60840 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 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
SCHEMBL3239767 1.00 CYP2D6 (0.52) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL3240992 0.87 HHAT (0.56) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL30824751 0.87 HHAT (0.56) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL30796669 0.86 HHAT (0.52) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL3240044 0.86 HHAT (0.52) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL3235009 0.86 HHAT (0.52) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL30795087 0.86 HHAT (0.52) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL2310038 0.86 HHAT (0.52) HHATP2RX7
SCHEMBL30795891 0.84 HHAT (0.49) CYP2D6HHATHDAC8HDAC3HDAC1
SCHEMBL3239107 0.84 HHAT (0.49) CYP2D6HHATHDAC8HDAC3HDAC1

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