SCHEMBL11148041

SCHEMBL11148041

CNC(=O)COc1ccc(CC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.64
ADRB2 P07550 11/20 0.64
ADRB1 P08588 8/20 0.64
CYP2D6 P10635 2/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
GLA P06280 1/20 0.59
CYP3A4 P08684 1/20 0.58
HIF1A Q16665 1/20 0.58
SLC2A1 P11166 3/20 0.52
GPR34 Q9UPC5 1/20 0.48

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
SCHEMBL10898514 0.91 ADRB3 (0.61) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9631209 0.90 ADRB3 (0.74) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL10858066 0.90 ADRB2 (0.51) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9799386 0.90 ADRB2 (0.74) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL10863169 0.89 ADRB2 (0.50) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Ethane SCHEMBL11152387 0.89 ADRB3 (0.73) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL10896428 0.85 ADRB3 (0.55) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL11245796 0.85 ADRB3 (0.65) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL10896840 0.85 ADRB2 (0.60) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL11154189 0.84 ADRB3 (0.74) ADRB3ADRB2ADRB1CYP2D6ADRA1D

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-0070133-A2 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed