SCHEMBL31336733

SCHEMBL31336733

C[C@@H]1OC(F)(F)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.42
APP P05067 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
PSEN1 P49768 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL31336693 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL31336601 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL31336723 0.85 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL31372506 0.84 HCRTR1 (0.43) HCRTR1APPHTR1AADRA2ADRD2
SCHEMBL31336708 0.82 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL31336787 0.81 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL31336590 0.80 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL31336613 0.80 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL31336667 0.78 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL31336861 0.78 HCRTR1 (0.47) 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