SCHEMBL30446263

SCHEMBL30446263

CO[C@@]1(C)CC[C@H](COCc2ccccc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
BACE1 P56817 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
DRD1 P21728 1/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL29262977 1.00 LMNA (0.42) LMNAHRH4HRH3CTSLCTSB
SCHEMBL25262482 0.83 LMNA (0.43) LMNAHRH4HRH3CTSLCTSB
SCHEMBL29263037 0.83 LMNA (0.43) LMNAHRH4HRH3CTSLCTSB
SCHEMBL31058889 0.83 LMNA (0.43) LMNAHRH4HRH3CTSLCTSB
SCHEMBL14739617 0.80 LMNA (0.45) LMNAHRH4HRH3CTSLCTSB
SCHEMBL28802203 0.76 LMNA (0.47) LMNAHRH4HRH3CTSLCTSB
SCHEMBL524359 0.76 LMNA (0.47) LMNAHRH4HRH3CTSLCTSB
SCHEMBL28802201 0.76 LMNA (0.47) LMNAHRH4HRH3CTSLCTSB
SCHEMBL10420228 0.75 LMNA (0.54) LMNAHRH4HRH3CTSLCTSB
SCHEMBL19559233 0.75 LMNA (0.54) LMNAHRH4HRH3CTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
CN-118251389-A Pyridyl derivatives as sodium channel activators 泽农医药公司 2024-06-25 CN disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed