SCHEMBL25313167

SCHEMBL25313167

CCN(C(=O)OCOC(=O)CCCCC(=O)OC(C)(C)C)[C@@H](C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
CYP3A4 P08684 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP2D6 P10635 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 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
SCHEMBL25313171 1.00 FAAH (0.41) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25313973 0.98 CYP3A4 (0.39) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25313969 0.98 CYP3A4 (0.39) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25313698 0.96 CYP3A4 (0.41) CYP3A4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25313691 0.96 CYP3A4 (0.41) CYP3A4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25906105 0.93 FAAH (0.36) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25906103 0.92 CYP3A4 (0.36) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25906102 0.90 CYP3A4 (0.38) CYP3A4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25316023 0.90 FAAH (0.45) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25316020 0.90 FAAH (0.45) FAAHMGLLCYP3A4TAAR1SLC6A2

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
WO-2023137446-A1 PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed
WO-2023137446-A1 PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed