SCHEMBL31336680

SCHEMBL31336680

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
HCRTR1 O43613 10/20 0.33
HDAC8 Q9BY41 1/20 0.32
TACR1 P25103 3/20 0.31

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
SCHEMBL16994160 0.78 CHRM2 (0.36) NR1H2HDAC8
SCHEMBL16224360 0.78 CHRM2 (0.36) NR1H2HDAC8
SCHEMBL10281624 0.78 CHRM2 (0.36) NR1H2HDAC8
SCHEMBL35211182 0.78 NR1H2 (0.43) NR1H2TACR1
SCHEMBL703953 0.77 NR1H2 (0.40) NR1H2HDAC8TACR1
SCHEMBL17001728 0.77 NR1H2 (0.40) NR1H2HDAC8TACR1
SCHEMBL703952 0.77 NR1H2 (0.40) NR1H2HDAC8TACR1
SCHEMBL12424302 0.76 NR1H2 (0.35) NR1H2HDAC8
SCHEMBL704921 0.74 NR1H2 (0.34) NR1H2HDAC8
SCHEMBL704922 0.74 NR1H2 (0.34) NR1H2HDAC8

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