SCHEMBL31023850

SCHEMBL31023850

COc1ccc(C(c2ccc(OC)c(OC)c2)N2CCN(C(=O)n3nnc4ccc(C#N)cc43)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.49
▸ FAAH O00519 3/20 0.49
▸ TSHR P16473 3/20 0.39
▸ F12 P00748 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ACHE P22303 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL31023840 1.00 MGLL (0.49) MGLLFAAHTSHRF12ALDH1A1
SCHEMBL31023735 0.93 MGLL (0.49) MGLLFAAHTSHRF12ALDH1A1
SCHEMBL31023750 0.89 MGLL (0.53) MGLLFAAHALDH1A1KDM4E
SCHEMBL31023684 0.88 MGLL (0.60) MGLLFAAHKDM4EHPGD
SCHEMBL31023795 0.86 MGLL (0.53) MGLLFAAHTSHRALDH1A1LMNA
SCHEMBL31023789 0.86 MGLL (0.48) MGLLFAAH
SCHEMBL31023819 0.82 MGLL (0.49) MGLLFAAH
SCHEMBL31023792 0.81 MGLL (0.53) MGLLFAAHALDH1A1KDM4E
SCHEMBL31023882 0.81 MGLL (0.51) MGLLFAAH
SCHEMBL31023838 0.80 MGLL (0.60) MGLLFAAHKDM4EHPGD

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
Send feedback