SCHEMBL30700199

SCHEMBL30700199

O=C(N1CC(c2ccc(Oc3ccccc3Cl)nc2)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RXRB P28702 2/20 0.34
MGLL Q99685 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BTK Q06187 2/20 0.32
EPHX2 P34913 1/20 0.32
POLB P06746 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
SCHEMBL30699942 1.00 HRH3 (0.47) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL30700048 1.00 HRH3 (0.47) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL30700420 0.88 HRH3 (0.47) HRH3KMT2AMEN1RXRBMGLL
SCHEMBL30700483 0.88 HRH3 (0.43) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL30700060 0.88 HRH3 (0.43) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL30700506 0.87 HRH3 (0.41) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL30699964 0.81 SCN9A (0.40) HRH3
SCHEMBL27291672 0.81 SCN9A (0.40) HRH3
SCHEMBL30700168 0.79 HRH3 (0.45) HRH3KMT2ARXRBMGLLNPC1
SCHEMBL30699944 0.78 CHRM4 (0.35) HRH3KMT2AMEN1ALDH1A1MAPT

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