SCHEMBL8960186

SCHEMBL8960186

COc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.83
ADRB2 P07550 13/20 0.78
ADRB3 P13945 12/20 0.78
ADRB1 P08588 8/20 0.78
GLA P06280 1/20 0.75
CYP2D6 P10635 2/20 0.73
ADRA1D P25100 1/20 0.73
ADRA1A P35348 1/20 0.73
ADRA1B P35368 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
CYP3A4 P08684 1/20 0.70
HIF1A Q16665 1/20 0.70

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
SCHEMBL7151096 1.00 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL9063641 1.00 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL7151100 1.00 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1GLA
Bromide SCHEMBL11149828 0.99 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL9468325 0.98 SLC2A1 (0.79) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL10433624 0.97 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL6541565 0.92 ADRB3 (0.72) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL10775030 0.92 SLC2A1 (0.98) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL10775033 0.92 SLC2A1 (0.98) SLC2A1ADRB2ADRB3ADRB1GLA
Hydrochloric Acid SCHEMBL6539499 0.91 SLC2A1 (0.72) SLC2A1ADRB2ADRB3ADRB1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519006-A Phosphonated arylethanolamine compounds with anti-hyperglycemic and/or anti-obesity activity SMITHKLINE BEECHAM PLC (GB) 1996-05-21 US claimed
US-4622342-A HYPOGLYCEMIC AGENTS, ANTIOBESITY BEECHAM GROUP P.L.C. (GB) 1986-11-11 US claimed
EP-0070134-B1 SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1985-11-13 EP claimed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP claimed
US-5491134-A TREATING DIABETES, OBESITY, ACHALASIA, GASTORINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-13 US disclosed
US-4622342-A HYPOGLYCEMIC AGENTS, ANTIOBESITY BEECHAM GROUP P.L.C. (GB) 1986-11-11 US disclosed
EP-0070134-B1 SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1985-11-13 EP disclosed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed