SCHEMBL31336669

SCHEMBL31336669

[2H]C([2H])([2H])c1cc(C(=O)OC(C)(C)C)nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.41
GABRG2 P18507 13/20 0.35
GABRB3 P28472 13/20 0.35
GABRA5 P31644 12/20 0.35
GABRA1 P14867 12/20 0.35
GABRA2 P47869 11/20 0.35
GABRA3 P34903 11/20 0.35
GABRA6 Q16445 10/20 0.35
GABRA4 P48169 5/20 0.35
GABRB2 P47870 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL25815441 0.89 BAZ2B (0.53) BAZ2BGABRG2GABRB3GABRA5GABRA1
SCHEMBL31336826 0.78 GABRG2 (0.36) BAZ2BGABRG2GABRB3GABRA5GABRA1
SCHEMBL27163039 0.72 MEN1 (0.39) KDM4ERAB9AKMT2AGRNSORT1
SCHEMBL2246566 0.69 BAZ2B (0.62) BAZ2BKDM4EGAARAB9AKMT2A
SCHEMBL27166556 0.69 LMNA (0.51) KDM4EGAARAB9AKMT2A
SCHEMBL27610277 0.68 TSHR (0.49) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL30850118 0.67 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL25407400 0.67 MAPK14 (0.46)
SCHEMBL16450565 0.67 ALDH1A1 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL12868356 0.66 BAZ2B (0.58) BAZ2BKDM4EGAARAB9AKMT2A

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 disclosed
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
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed