SCHEMBL7042590

SCHEMBL7042590

CC(NC[C@H](O)COc1ccc(O)c(CO)c1)C(O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.56
ADRB1 P08588 4/20 0.56
SLC6A2 P23975 2/20 0.53
PTGS1 P23219 1/20 0.53
ADRB3 P13945 8/20 0.53
HIF1A Q16665 3/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7611650 0.81 ADRB3 (0.58) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL11226581 0.80 SLC6A2 (0.66) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL7250507 0.78 ADRB3 (0.61) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL7042586 0.78 ADRB3 (0.55) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL7042688 0.77 ADRB2 (0.45) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL7042479 0.77 ADRB2 (0.50) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL9054230 0.75 ADRB3 (0.70) ADRB2ADRB1ADRB3CYP2D6CYP1A2
SCHEMBL7638769 0.74 ADRB3 (0.71) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7039636 0.74 HIF1A (0.54) ADRB2ADRB1SLC6A2PTGS1ADRB3
SCHEMBL9054228 0.74 ADRB2 (0.61) ADRB2ADRB1SLC6A2PTGS1ADRB3

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
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed