SCHEMBL25311533

SCHEMBL25311533

CCN(C(=O)OC(C)(C)C)C(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL25311529 1.00 TAAR1 (0.47) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25903872 0.89 TAAR1 (0.44) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25906025 0.89 TAAR1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25313691 0.87 CYP3A4 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25313698 0.87 CYP3A4 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25900372 0.86 CYP3A4 (0.46) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25314207 0.86 CYP3A4 (0.50) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL25314202 0.86 CYP3A4 (0.50) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL30169770 0.86 TAAR1 (0.49) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL24883777 0.86 TAAR1 (0.49) TAAR1SLC6A2SLC6A4SLC6A3HPGD

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