SCHEMBL10840645

SCHEMBL10840645

CC(CCc1ccc(O)cc1)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.70
ADRB2 P07550 12/20 0.70
ADRB3 P13945 13/20 0.59
ADRB1 P08588 11/20 0.59
POLB P06746 1/20 0.55
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL11168722 0.91 SLC2A1 (0.72) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL10890383 0.90 SLC2A1 (0.70) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL8855251 0.89 ADRB2 (0.75) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL11464773 0.89 ADRB2 (0.75) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL11464772 0.89 ADRB2 (0.75) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL7153896 0.88 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL28294044 0.88 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL7153891 0.88 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL3705430 0.88 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL10873061 0.85 SLC2A1 (0.78) SLC2A1ADRB2ADRB3ADRB1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4622342-A HYPOGLYCEMIC AGENTS, ANTIOBESITY BEECHAM GROUP P.L.C. (GB) 1986-11-11 US disclosed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed