SCHEMBL31336713

SCHEMBL31336713

CC1OC(F)(F)CN(Cc2ccccc2)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL31336836 1.00 SMYD2 (0.36) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31336845 0.91 SMYD2 (0.35) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31336758 0.91 SMYD2 (0.35) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31336626 0.91 SMYD2 (0.35) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31372503 0.80 MGAM (0.37) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31372576 0.80 MGAM (0.37) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31372572 0.80 MGAM (0.37) SMYD2PDK1PDK2PDK3PDK4
SCHEMBL31336704 0.78 SMYD2 (0.37) SMYD2
SCHEMBL31336807 0.78 SMYD2 (0.37) SMYD2
SCHEMBL31336622 0.78 GBA1 (0.44) MAPT

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-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP claimed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed