SCHEMBL31336735

SCHEMBL31336735

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
ELANE P08246 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TARBP2 Q15633 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4158664 0.89 MAPT (0.45) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL31336842 0.80 MEN1 (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31336698 0.78 RAB9A (0.39) MAPTALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL19615264 0.76 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL24552650 0.75 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL19615850 0.75 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL19618984 0.75 POLB (0.40) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL19615438 0.74 SLC5A1 (0.42) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL24553235 0.73 KDM4E (0.47) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL19615387 0.73 SMN1; SMN2 (0.40) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10

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