SCHEMBL31372503

SCHEMBL31372503

C[C@@H]1CN(Cc2ccccc2)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.37
SMYD2 Q9NRG4 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
OPRM1 P35372 1/20 0.31
HRH2 P25021 1/20 0.31

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
SCHEMBL31372572 1.00 MGAM (0.37) MGAMSMYD2GAAMAPTPDK1
SCHEMBL31372576 1.00 MGAM (0.37) MGAMSMYD2GAAMAPTPDK1
SCHEMBL16368996 0.85 MAPT (0.43) MGAMSMYD2GAAMAPTPDK1
SCHEMBL16369034 0.85 MAPT (0.43) MGAMSMYD2GAAMAPTPDK1
SCHEMBL16369012 0.81 SMYD2 (0.35) MGAMSMYD2GAAMAPTPDK1
SCHEMBL31336836 0.80 SMYD2 (0.36) SMYD2MAPTPDK1PDK2PDK3
SCHEMBL31336713 0.80 SMYD2 (0.36) SMYD2MAPTPDK1PDK2PDK3
SCHEMBL31336845 0.79 SMYD2 (0.35) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31336758 0.79 SMYD2 (0.35) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31336626 0.79 SMYD2 (0.35) SMYD2PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed