SCHEMBL31336716

SCHEMBL31336716

[2H]C([2H])([2H])c1ccc(-c2ncccn2)c(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.42
HCRTR1 O43613 13/20 0.42
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MYC P01106 1/20 0.36
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30775045 0.89 HCRTR2 (0.50) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL264270 0.89 HCRTR2 (0.50) HCRTR2HCRTR1MAPTKDM4EALDH1A1
Lithium SCHEMBL607039 0.87 HCRTR2 (0.49) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL607037 0.87 HCRTR2 (0.49) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL31336873 0.84 L3MBTL1 (0.42) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL31372446 0.78 HCRTR2 (0.41) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL3385656 0.78 HCRTR2 (0.41) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL19151517 0.76 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL2471955 0.74 HCRTR2 (0.42) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL30775053 0.74 HCRTR2 (0.42) HCRTR2HCRTR1MAPTKDM4EALDH1A1

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 8 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
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO 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
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed