SCHEMBL31336786

SCHEMBL31336786

C[C@@H]1OC(F)(F)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.47
HCRTR2 O43614 6/20 0.46

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
SCHEMBL31336804 0.91 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL31336861 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336723 0.88 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL31336852 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL31336784 0.88 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL31336652 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336708 0.86 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL31336693 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL31372477 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31372673 0.84 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 2 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
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed