SCHEMBL31336804

SCHEMBL31336804

[2H]C([2H])(Nc1ccc(C(F)(F)F)cn1)[C@@H]1[C@H](C)OC(F)(F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.41
HCRTR2 O43614 5/20 0.40
DPP4 P27487 1/20 0.38

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
SCHEMBL31336786 0.91 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336903 0.89 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL31336674 0.89 HCRTR1 (0.36) HCRTR1HCRTR2DPP4
SCHEMBL31336685 0.87 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL31372615 0.85 LIPE (0.41) HCRTR1HCRTR2DPP4
SCHEMBL31336861 0.82 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336723 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL31336784 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL31336708 0.79 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL31336852 0.79 HCRTR1 (0.49) HCRTR1HCRTR2

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