SCHEMBL31023769

SCHEMBL31023769

O=C(O)C1CCN(C(c2ccc3c(c2)COCO3)c2ccc3c(c2)COCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.41
LTA4H P09960 1/20 0.40
P4HB P07237 2/20 0.39
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 3/20 0.35
OPRD1 P41143 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL31023753 1.00 SMAD3 (0.41) SMAD3LTA4HP4HBHPGDALDH1A1
SCHEMBL31023932 0.86 NPC1 (0.47) SMAD3P4HBHPGDALDH1A1TSHR
SCHEMBL31023723 0.83 SMAD3 (0.42) SMAD3P4HBHPGDALDH1A1MEN1
SCHEMBL31023906 0.82 MGLL (0.36) SMAD3P4HBALDH1A1TSHR
SCHEMBL31023687 0.82 MGLL (0.42) SMAD3P4HBHPGD
SCHEMBL31023960 0.78 CYP3A4 (0.44) SMAD3P4HBALDH1A1TSHRMEN1
SCHEMBL31023940 0.78 HPGD (0.52) SMAD3P4HBHPGDALDH1A1MEN1
SCHEMBL31023772 0.77 P4HB (0.47) SMAD3P4HBMEN1KMT2AOPRD1
SCHEMBL31023796 0.76 CNR1 (0.38) SMAD3P4HBHTTNPSR1
SCHEMBL17541495 0.73 OGA (0.60) LTA4HHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665718-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF Apogee Pharmaceuticals, Inc. (CA) 2025-12-24 EP disclosed
WO-2024168426-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-08-22 WO disclosed