SCHEMBL30795362

SCHEMBL30795362

CCOC(=O)Nc1c(C)cc(N2CCc3ncccc3C2)nc1N1CCC(F)(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
HDAC6 Q9UBN7 1/20 0.40
KCNQ2 O43526 1/20 0.37
PTGER4 P35408 1/20 0.36
KDM2B Q8NHM5 2/20 0.36
KDM6B O15054 1/20 0.36
KDM6A O15550 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM3B Q7LBC6 1/20 0.36
TET1 Q8NFU7 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 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
SCHEMBL2680336 1.00 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30795847 0.86 PTGER4 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2680089 0.86 PTGER4 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30795339 0.86 KCNQ2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2679556 0.86 KCNQ2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2680430 0.84 PTGER4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2680190 0.84 HDAC6 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30794388 0.84 HDAC6 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30796044 0.84 PTGER4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30795594 0.84 PTGER4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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