SCHEMBL25263232

SCHEMBL25263232

CCN(C(=O)C(F)(F)F)[C@@H](C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL25313936 1.00 TAAR1 (0.49) TAAR1SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL25906365 0.89 TAAR1 (0.50) TAAR1SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL25900643 0.89 TAAR1 (0.50) TAAR1SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL25900621 0.86 TAAR1 (0.47) TAAR1SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL25313157 0.85 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL25314069 0.85 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL25900640 0.85 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL25304500 0.85 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL25314071 0.85 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL25901210 0.85 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HPGD

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