SCHEMBL30700478

SCHEMBL30700478

O=C(N1CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C1)N1CC[C@H](c2cnn[nH]2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MGLL Q99685 3/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
ADAM10 O14672 1/20 0.36
ERBB2 P04626 1/20 0.36
BACE1 P56817 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL30700456 0.92 APLNR (0.39) HSD11B1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL30700296 0.88 MGLL (0.36) HSD11B1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL30700024 0.84 CA12 (0.39) HSD11B1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL30700496 0.84 PRMT5 (0.35) HSD11B1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL30700264 0.81 MGLL (0.43) HSD11B1TP53ALDH1A1MGLL
SCHEMBL30700661 0.81 MGLL (0.34) HSD11B1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL30700311 0.78 PARP10 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MGLL
SCHEMBL30700040 0.78 PARP10 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MGLL
SCHEMBL30700767 0.78 MGLL (0.38) HSD11B1SMN1; SMN2MGLL
SCHEMBL27290972 0.77 MGLL (0.42) HSD11B1MGLL

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 3 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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed