SCHEMBL25101015

SCHEMBL25101015

CN(C)C[C@H](O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
HIF1A Q16665 2/20 0.54
HTR3A P46098 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTR1A P08908 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NMUR2 Q9GZQ4 1/20 0.53
ALOX15 P16050 2/20 0.52
APEX1 P27695 1/20 0.52
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 2/20 0.49
OPRM1 P35372 2/20 0.49
SLC6A3 Q01959 2/20 0.49

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
SCHEMBL6320573 1.00 TAAR1 (0.54) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL6320570 0.83 TAAR1 (0.50) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL16327150 0.83 AOC3 (0.48) TAAR1ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1205131 0.81 AOC3 (0.72) TAAR1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL6281264 0.81 AOC3 (0.72) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1239178 0.81 AOC3 (0.47) TAAR1HIF1ANFKB1HTR1ATHPO
SCHEMBL529255 0.81 AOC3 (0.52) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL12238827 0.80 TAAR1 (0.47) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL29633156 0.80 TAAR1 (0.47) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL804251 0.80 AOC3 (0.70) TAAR1TDP1KDM4ESMN1; SMN2SLC6A2

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-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 WO disclosed