SCHEMBL31336864

SCHEMBL31336864

COC(=O)c1ncn(C)c1I

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
FGFR1 P11362 1/20 0.35
NR4A2 P43354 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL12255736 0.79 NPSR1 (0.45) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL13651660 0.79 NPSR1 (0.45) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL71364 0.79 APOBEC3A (0.46) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL13651652 0.78 NPSR1 (0.43) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL31336867 0.78 KDM4E (0.44) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL2234794 0.78 NPSR1 (0.43) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL31336866 0.78 KDM4E (0.44) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL19737998 0.78 NPSR1 (0.43) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1
SCHEMBL14736244 0.76 APOBEC3A (0.44) NPSR1APOBEC3AAPOBEC3GL3MBTL1KDM4E
SCHEMBL24174908 0.75 NPSR1 (0.41) NPSR1APOBEC3AAPOBEC3GL3MBTL1ALDH1A1

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