SCHEMBL7207159

SCHEMBL7207159

CC(Cc1ccc(-c2ccccc2)cc1)NC(CO)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.55
ADRB1 P08588 10/20 0.55
SLC2A1 P11166 4/20 0.52
ADRB2 P07550 8/20 0.49
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
EP300 Q09472 2/20 0.44
GLA P06280 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL7207154 0.80 ADRB3 (0.81) ADRB3ADRB1SLC2A1ADRB2ADRA1D
SCHEMBL7149375 0.80 ADRB3 (0.81) ADRB3ADRB1SLC2A1ADRB2ADRA1D
SCHEMBL7149376 0.80 ADRB3 (0.81) ADRB3ADRB1SLC2A1ADRB2ADRA1D
SCHEMBL9240404 0.80 SLC2A1 (0.47) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL8193136 0.80 SLC2A1 (0.47) ADRB3ADRB1SLC2A1ADRB2GLA
SCHEMBL7210773 0.79 SIGMAR1 (0.64) ADRB1ADRB2ADRA1ACYP1A2CYP2D6
SCHEMBL14338095 0.76 ADRB2 (0.43) ADRB3ADRB1SLC2A1ADRB2
SCHEMBL14252613 0.76 ADRB2 (0.43) ADRB3ADRB1SLC2A1ADRB2
Bromide SCHEMBL9393290 0.75 ADRB3 (0.55) ADRB3ADRB1SLC2A1ADRB2ADRA1D
SCHEMBL5536663 0.74 ADRB3 (0.53) ADRB3ADRB1ADRB2ADRA1DADRA1A

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-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed