SCHEMBL31336709

SCHEMBL31336709

COC(=O)c1nc(N)ccc1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ROCK1 Q13464 2/20 0.39
MPO P05164 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
CFTR P13569 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL30775080 0.83 L3MBTL1 (0.49) L3MBTL1ALOX15HTTNPSR1
SCHEMBL607604 0.83 L3MBTL1 (0.49) L3MBTL1ALOX15HTTNPSR1
SCHEMBL31336774 0.82 L3MBTL1 (0.44) L3MBTL1ALOX15HTTKDM4EALDH1A1
SCHEMBL15229409 0.79 L3MBTL1 (0.42) L3MBTL1ALOX15HTTNPSR1
SCHEMBL31336873 0.79 L3MBTL1 (0.42) L3MBTL1ALOX15HTTKDM4EALDH1A1
SCHEMBL267964 0.74 NPSR1 (0.48) L3MBTL1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8320350 0.74 NPSR1 (0.48) L3MBTL1ALOX15HTTKDM4EALDH1A1
SCHEMBL29756221 0.74 NPSR1 (0.48) L3MBTL1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15955973 0.73 RPS6KB1 (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL31336812 0.73 ALOX15 (0.42) L3MBTL1ALOX15HTTKDM4EALDH1A1

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