SCHEMBL25311892

SCHEMBL25311892

CCN(C(=O)OCOC(=O)CCCC(=O)O)C(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
CYP3A4 P08684 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL25311886 1.00 FAAH (0.43) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25316023 0.98 FAAH (0.45) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25316020 0.98 FAAH (0.45) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25317245 0.94 CYP3A4 (0.43) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25317251 0.94 CYP3A4 (0.43) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25313973 0.90 CYP3A4 (0.39) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25906107 0.90 CYP3A4 (0.39) CYP3A4TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25313969 0.90 CYP3A4 (0.39) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL24883688 0.88 FAAH (0.44) FAAHMGLLCYP3A4TAAR1SLC6A2
SCHEMBL25901493 0.88 CYP3A4 (0.46) CYP3A4TAAR1SLC6A2SLC6A4SLC6A3

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