SCHEMBL25860277

SCHEMBL25860277

CC[C@H](C)[C@H](N)C(=O)N(C)[C@H](C)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL25859940 1.00 TAS1R3 (0.49) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25859936 0.89 MEN1 (0.47) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25863021 0.89 MEN1 (0.47) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25860272 0.89 MEN1 (0.47) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25863045 0.88 ALDH1A1 (0.44) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25860270 0.87 ALDH1A1 (0.48) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25859935 0.87 ALDH1A1 (0.48) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25863041 0.86 HPGD (0.45) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25859533 0.85 ALDH1A1 (0.51) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25860275 0.84 TAS1R3 (0.47) TAS1R3TAS1R1HPGDALDH1A1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137453-A1 PRODRUGS OF 3,4-METHYLENEDIOXY-N-METHCATHINONE AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed