SCHEMBL9320952

SCHEMBL9320952

CCCOCCCCOCCCCCCNCC(O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.50
▸ ADRB2 P07550 12/20 0.48
▸ ADRB1 P08588 10/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MLNR O43193 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 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
SCHEMBL9321425 0.94 SLC2A1 (0.49) SLC2A1ADRB2ADRB1LMNASLC6A2
SCHEMBL11018796 0.84 ADRB2 (0.57) SLC2A1ADRB2ADRB1LMNASLC6A2
SCHEMBL9764465 0.83 ADRB2 (0.58) SLC2A1ADRB2ADRB1LMNASLC6A2
SCHEMBL3982300 0.83 ADRB2 (0.67) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL9764380 0.83 ADRB2 (0.53) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL9764490 0.83 ADRB2 (0.58) SLC2A1ADRB2ADRB1LMNASLC6A2
SCHEMBL9764474 0.82 ADRB2 (0.53) SLC2A1ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL9742101 0.82 SLC2A1 (0.58) SLC2A1ADRB2ADRB1LMNASLC6A2
SCHEMBL9741158 0.82 SLC2A1 (0.58) SLC2A1ADRB2ADRB1LMNASLC6A2
Hydrochloric Acid SCHEMBL9021318 0.82 ADRB2 (0.61) SLC2A1ADRB2ADRB1LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401966-B1 Phenethanolamine derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LTD (GB) 1994-01-19 — — EP claimed
US-5066678-A PHENETHANDAMINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF GLAXO GROUP LIMITED (GB) 1991-11-19 — — US claimed
EP-0401966-A1 Phenethanolamine derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1990-12-12 — — EP claimed
EP-0401966-B1 Phenethanolamine derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LTD (GB) 1994-01-19 — — EP disclosed
US-5066678-A PHENETHANDAMINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF GLAXO GROUP LIMITED (GB) 1991-11-19 — — US disclosed
EP-0401966-A1 Phenethanolamine derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1990-12-12 — — EP disclosed
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