SCHEMBL10771923

SCHEMBL10771923

CC(NCCCCCCOCCCc1ccccc1)C(O)c1cc(O)cc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.48
▸ ADRB2 P07550 6/20 0.46
▸ SLC6A2 P23975 4/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ ADRB1 P08588 3/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ SLC6A3 Q01959 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ ADRA2B P18089 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46

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
SCHEMBL9483941 0.88 ADRB2 (0.54) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
Hydrochloric Acid SCHEMBL10769677 0.82 ADRB2 (0.65) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
SCHEMBL5008661 0.78 ADRB2 (0.52) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
SCHEMBL10477935 0.77 ADRB2 (0.70) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
SCHEMBL7381182 0.76 SIGMAR1 (0.57) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
SCHEMBL10477747 0.73 ADRB2 (0.60) ADRB2
SCHEMBL20689716 0.72 CYP2D6 (0.58) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
SCHEMBL20689721 0.72 CYP2D6 (0.58) ADRB2SLC6A2SLC6A4ADRB1ADRA1A
SCHEMBL11093917 0.71 SLC2A1 (0.52) SLC2A1ADRB2SLC6A2SLC6A4ADRB1
SCHEMBL7317207 0.71 ADRB2 (0.49) SLC2A1ADRB2SLC6A2SLC6A4ADRB1

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
EP-0220878-A2 Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1987-05-06 — — EP disclosed
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