SCHEMBL31336736

SCHEMBL31336736

CC(C)(C)OC(=O)c1nn2c(c1-c1ncc(F)cn1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.33
TGFBR1 P36897 4/20 0.33
GABRA1 P14867 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA6 Q16445 4/20 0.33
MAPK14 Q16539 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL31336748 0.82 THRB (0.38) THRBTGFBR1MAPK14
SCHEMBL31336737 0.74 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336773 0.72 HCRTR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336689 0.72 HCRTR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336884 0.72 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336853 0.70 THRB (0.38) THRBTGFBR1MAPK14
SCHEMBL19207018 0.69 HCRTR1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336798 0.64 GABRA1 (0.40) THRBGABRA1GABRG2GABRB3GABRA5
SCHEMBL13193808 0.63 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15756312 0.62 GRM1 (0.59)

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