SCHEMBL30795149

SCHEMBL30795149

COc1cc(N2CCOCC2)cc(C)c1NC(=O)CC1CC2CCC1C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
MAPT P10636 4/20 0.40
HTR1A P08908 5/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 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
SCHEMBL2437645 1.00 LMNA (0.44) LMNAALDH1A1SMN1; SMN2RECQLKDM4E
SCHEMBL2438195 0.91 SIRT5 (0.46) LMNAALDH1A1SMN1; SMN2RECQLKDM4E
SCHEMBL30794937 0.84 SIRT5 (0.41) LMNAALDH1A1SMN1; SMN2RECQLSIRT5
SCHEMBL2437983 0.84 SIRT5 (0.41) LMNAALDH1A1SMN1; SMN2RECQLSIRT5
SCHEMBL2438382 0.82 MAPT (0.48) LMNAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL30795068 0.82 MAPT (0.48) LMNAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL2436312 0.81 ECE1 (0.42) LMNAALDH1A1SIRT5MAPTMEN1
SCHEMBL30795849 0.81 MAPT (0.41) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2437736 0.81 MAPT (0.41) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL973888 0.79 SIRT5 (0.43) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1

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