SCHEMBL7318971

SCHEMBL7318971

C=C(C)OCCOCc1ccccc1OCC(O)CNC(C)CO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.50
ADRB1 P08588 14/20 0.50
LMNA P02545 2/20 0.48
HTR1A P08908 1/20 0.48
ADRB3 P13945 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
BDKRB2 P30411 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PMP22 Q01453 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL7312078 0.90 ADRB2 (0.62) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7309390 0.87 ADRB2 (0.53) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7311909 0.86 ADRB2 (0.52) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7318958 0.85 ADRB2 (0.56) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL11512576 0.82 ADRB2 (0.60) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7319039 0.80 ADRB2 (0.54) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7319655 0.80 ADRB2 (0.50) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7318237 0.78 CASR (0.56) ADRB2HTR1AADRB3SLC6A2SLC6A4
SCHEMBL7319579 0.77 MEN1 (0.61) ADRB2ADRB1ADRB3
SCHEMBL7317641 0.77 ADRB2 (0.67) ADRB2ADRB1LMNAHTR1AADRB3

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
US-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US disclosed
US-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US disclosed