SCHEMBL30700586

SCHEMBL30700586

O=C(N1CC(c2cnc(Oc3ccc(Cl)cc3Cl)cn2)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.35
OXTR P30559 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
FFAR1 O14842 1/20 0.32
SPR P35270 1/20 0.32
BTK Q06187 2/20 0.32
MGLL Q99685 1/20 0.32
RXRB P28702 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30699944 1.00 CHRM4 (0.35) CHRM4OXTRHTTSMN1; SMN2HPGD
SCHEMBL30700060 0.90 HRH3 (0.43) OXTRHTTHPGDTSHRMAPT
SCHEMBL30700483 0.90 HRH3 (0.43) OXTRHTTHPGDTSHRMAPT
SCHEMBL30700013 0.88 HRH3 (0.40) HRH3BTKRXRB
SCHEMBL30700506 0.79 HRH3 (0.41) HPGDTSHRMAPTHRH3BTK
SCHEMBL30700048 0.78 HRH3 (0.47) HPGDTSHRMAPTHRH3BTK
SCHEMBL30700199 0.78 HRH3 (0.47) HPGDTSHRMAPTHRH3BTK
SCHEMBL30699942 0.78 HRH3 (0.47) HPGDTSHRMAPTHRH3BTK
SCHEMBL30700580 0.72 OXTR (0.39) CHRM4OXTRHTTSMN1; SMN2HPGD
SCHEMBL30699815 0.70 RXRB (0.49) CHRM4RXRBRAB9A

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
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 EP claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 CN claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 CN disclosed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed