SCHEMBL7694615

SCHEMBL7694615

NC(=O)c1cnc2ccccc2c1Oc1ccc(C[C@@H](CO)NC[C@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.53
ADRB2 P07550 11/20 0.49
ADRB1 P08588 8/20 0.49
SLC2A1 P11166 3/20 0.48
CYP2D6 P10635 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
PDE4B Q07343 1/20 0.44

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
SCHEMBL7694616 1.00 ADRB3 (0.53) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL7692855 0.82 ADRB3 (0.55) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL6491968 0.81 ADRB3 (0.54) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL6491972 0.81 ADRB3 (0.54) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL6480835 0.79 ADRB3 (0.61) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL6479256 0.79 ADRB3 (0.61) ADRB3ADRB2ADRB1SLC2A1CYP2D6
Oxalic Acid SCHEMBL6478738 0.79 ADRB3 (0.54) ADRB3ADRB2ADRB1SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6480588 0.79 ADRB3 (0.61) ADRB3ADRB2ADRB1SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6480583 0.79 ADRB3 (0.61) ADRB3ADRB2ADRB1SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6478897 0.78 SLC2A1 (0.60) ADRB3ADRB2ADRB1SLC2A1CYP2D6

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed