SCHEMBL30796433

SCHEMBL30796433

COc1ccc(CNC(=O)CCC(=O)N2CCc3ccccc3C2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.54
HDAC1 Q13547 3/20 0.54
HHAT Q5VTY9 3/20 0.52
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HCRTR1 O43613 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
NPC1 O15118 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL3236487 1.00 HDAC8 (0.54) HDAC8HDAC1HHATCYP2D6ALDH1A1
SCHEMBL3239030 0.90 ALDH1A1 (0.48) HDAC8HDAC1ALDH1A1HCRTR1NPC1
SCHEMBL30794691 0.90 ALDH1A1 (0.48) HDAC8HDAC1ALDH1A1HCRTR1NPC1
SCHEMBL30824751 0.90 HHAT (0.56) HDAC8HDAC1HHATCYP2D6HDAC3
SCHEMBL3240992 0.90 HHAT (0.56) HDAC8HDAC1HHATCYP2D6HDAC3
SCHEMBL30795961 0.89 HHAT (0.54) HDAC8HDAC1HHATCYP2D6HDAC3
SCHEMBL3232980 0.89 HHAT (0.54) HDAC8HDAC1HHATCYP2D6HDAC3
SCHEMBL30795853 0.87 CHRM3 (0.55) HDAC8HDAC1HHATCYP2D6HDAC3
SCHEMBL3242938 0.87 CHRM3 (0.55) HDAC8HDAC1HHATCYP2D6HDAC3
SCHEMBL3236249 0.87 ALDH1A1 (0.47) ALDH1A1HCRTR1NPC1LMNATSHR

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