SCHEMBL31336784

SCHEMBL31336784

C[C@@H]1OC(F)(F)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1cc(C(F)(F)F)ccn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.42
HCRTR2 O43614 2/20 0.42
SYK P43405 3/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31372732 0.85 HCRTR1 (0.44) HCRTR1HCRTR2SYKALDH1A1GAA
SCHEMBL31372630 0.85 HCRTR1 (0.44) HCRTR1HCRTR2SYKALDH1A1GAA
SCHEMBL31336861 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336652 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336599 0.82 HCRTR1 (0.44) HCRTR1HCRTR2SYK
SCHEMBL31336708 0.82 HCRTR1 (0.40) HCRTR1HCRTR2GAA
SCHEMBL31336638 0.82 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL31336693 0.82 HCRTR1 (0.48) HCRTR1HCRTR2GAA
SCHEMBL31336723 0.81 HCRTR1 (0.42) 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