SCHEMBL31336698

SCHEMBL31336698

[2H]C([2H])([2H])n1nc(C(=O)O)c(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.36
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTT P42858 2/20 0.33
IKBKB O14920 2/20 0.33
MAP3K14 Q99558 1/20 0.33
ALDH1A1 P00352 2/20 0.33
APAF1 O14727 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3140977 0.86 RAB9A (0.49) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL31336735 0.78 MAPT (0.42) RAB9APOLBNPC1SMN1; SMN2MAPT
SCHEMBL31336842 0.77 MEN1 (0.39) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL30061569 0.74 RAB9A (0.42) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL22437556 0.69 SMN1; SMN2 (0.50) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL25333987 0.69 HTT (0.42) RAB9APOLBNPC1SMN1; SMN2MEN1
SCHEMBL31336696 0.67 HCRTR1 (0.36) HTR2AHTR2CHCAR2
SCHEMBL22436736 0.67 HCAR2 (0.37) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL20593138 0.67 SMN1; SMN2 (0.58) RAB9APOLBNPC1SMN1; SMN2LMNA
SCHEMBL25303289 0.67 RAB9A (0.49) RAB9APOLBNPC1SMN1; SMN2LMNA

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-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