SCHEMBL31336737

SCHEMBL31336737

CC(C)(C)OC(=O)c1nn2c(c1Br)CCC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.35
GABRG2 P18507 10/20 0.35
GABRB3 P28472 10/20 0.35
GABRA5 P31644 10/20 0.35
GABRA3 P34903 10/20 0.35
GABRA6 Q16445 10/20 0.35
GABRA2 P47869 6/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL31336884 0.81 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3798240 0.80 PDE3B (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25412983 0.80 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30515595 0.79 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28480405 0.77
SCHEMBL30793876 0.75 NR1H2 (0.42) MEN1KMT2AMAPK1
SCHEMBL31336736 0.74 THRB (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30793168 0.72 ADORA1 (0.42) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL28643148 0.72 KMT2A (0.32) KMT2A
SCHEMBL30752612 0.71 NR1H2 (0.46) MAPK1

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 disclosed
EP-4688155-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
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed