SCHEMBL31336734

SCHEMBL31336734

COC(=O)c1nc(C)cc(Cl)c1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.44
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NQO2 P16083 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RCE1 Q9Y256 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
SCHEMBL31336718 0.85 ALDH1A1 (0.41) ALOX15ALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL2491494 0.72 S1PR4 (0.48) S1PR4HTTALDH1A1KMT2ATP53
SCHEMBL31372703 0.72 L3MBTL1 (0.42) S1PR4ALOX15HTTALDH1A1L3MBTL1
SCHEMBL30775080 0.72 L3MBTL1 (0.49) S1PR4ALOX15HTTL3MBTL1NPSR1
SCHEMBL607604 0.72 L3MBTL1 (0.49) S1PR4ALOX15HTTL3MBTL1NPSR1
SCHEMBL1424613 0.71 NQO2 (0.46) S1PR4ALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL31336711 0.69 ALDH1A1 (0.43) ALOX15ALDH1A1L3MBTL1KMT2ATP53
SCHEMBL16114981 0.69 POLB (0.46) HTTALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL21702310 0.68 NPSR1 (0.43) S1PR4ALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL610102 0.68 S1PR4 (0.56) S1PR4ALDH1A1L3MBTL1KMT2ANPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO disclosed
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