SCHEMBL31336773

SCHEMBL31336773

[2H]C([2H])([2H])n1nc(C(=O)OC(C)(C)C)c(-c2ncc(F)cn2)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL31336689 0.88 HCRTR1 (0.37) HCRTR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL31336717 0.86 GABRA5 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336696 0.82 HCRTR1 (0.36) HCRTR1
SCHEMBL19207114 0.77 HCRTR1 (0.39) HCRTR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL31336798 0.77 GABRA1 (0.40) HCRTR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL19207031 0.72 HCRTR1 (0.42) HCRTR1
SCHEMBL31336842 0.72 MEN1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336736 0.72 THRB (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336839 0.71 CYP11B2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336633 0.70 KDM4C (0.30)

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-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed