SCHEMBL9483941

SCHEMBL9483941

CC(NCCCc1ccccc1)C(O)c1cc(O)cc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ SLC6A2 P23975 3/20 0.54
▸ OPRM1 P35372 3/20 0.54
▸ ADRA1A P35348 3/20 0.54
▸ SLC6A4 P31645 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ ADRB1 P08588 2/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ SLC6A3 Q01959 2/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ SIGMAR1 Q99720 4/20 0.53
▸ ADRB3 P13945 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ HTR2A P28223 1/20 0.51

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
SCHEMBL10771923 0.88 SLC2A1 (0.48) ADRB2LMNAHIF1ASLC6A2OPRM1
SCHEMBL7381182 0.87 SIGMAR1 (0.57) ADRB2LMNAHIF1ASLC6A2OPRM1
Cliropamine SCHEMBL2110690 0.82 ADRB2 (0.49) ADRB2LMNAHIF1ASLC6A2OPRM1
SCHEMBL7317207 0.82 ADRB2 (0.49) ADRB2LMNAHIF1ASLC6A2OPRM1
Cliropamine SCHEMBL31741642 0.81 SIGMAR1 (0.50) ADRB2LMNAHIF1ASLC6A2OPRM1
SCHEMBL5076478 0.77 LMNA (0.69) ADRB2LMNAHIF1ASLC6A2OPRM1
Hydrochloric Acid SCHEMBL9138402 0.76 LMNA (0.69) ADRB2LMNAHIF1ASLC6A2OPRM1
SCHEMBL11807913 0.75 ADRB1 (0.61) ADRB2LMNAHIF1ASLC6A2OPRM1
SCHEMBL11918929 0.74 LMNA (0.52) ADRB2LMNAHIF1ASLC6A2OPRM1
SCHEMBL11093917 0.74 SLC2A1 (0.52) ADRB2LMNAHIF1ASLC6A2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266589-A Dihydroxyphenylethanolamine compound DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-11-30 — — US disclosed
EP-0488435-A1 Method of increasing the muscle/fat ratio in agricultural domestic animals DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-06-03 — — EP disclosed
EP-0103830-A2 Phenylethylemine derivatires as growth stimulators BAYER AG (DE) 1984-03-28 — — EP disclosed
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