SCHEMBL31336717

SCHEMBL31336717

[2H]C([2H])([2H])n1nc(C(=O)OC(C)(C)C)c(-c2ccc(F)cn2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRA6 Q16445 2/20 0.38
GRM5 P41594 4/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRB1 P18505 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
SCHEMBL31336798 0.92 GABRA1 (0.40) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL31336773 0.86 HCRTR1 (0.37) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL31336654 0.83 GRM5 (0.38) GABRA5GRM5
SCHEMBL31336886 0.77 POLB (0.40) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL31336792 0.76 GABRA1 (0.38) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL31336689 0.74 HCRTR1 (0.37) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL31336683 0.74 GRM5 (0.43) GABRA5GRM5LMNAALDH1A1
SCHEMBL31336634 0.72 PDE2A (0.35) GRM5
SCHEMBL31336623 0.71 MEN1 (0.35) CNR1CNR2ALDH1A1
SCHEMBL31336842 0.71 MEN1 (0.39) GABRA5GABRA1GABRG2GABRB3GABRA3

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