SCHEMBL7692121

SCHEMBL7692121

CC(=O)ON(C(=O)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)ccnc12)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.34
ADRB1 P08588 9/20 0.34
ADRB2 P07550 7/20 0.34
CYP2D6 P10635 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC2A1 P11166 1/20 0.33
BACE1 P56817 2/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
HIF1A Q16665 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL7692123 1.00 ADRB3 (0.34) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7694653 0.90 ADRB3 (0.37) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7694654 0.90 ADRB3 (0.37) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL7691953 0.86 SLC2A1 (0.37) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7692124 0.84 BACE1 (0.38) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7692587 0.84 ADRB3 (0.38) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7692585 0.84 ADRB3 (0.38) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6478089 0.81 SLC2A1 (0.39) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6478093 0.81 SLC2A1 (0.39) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL7689573 0.80 SLC2A1 (0.34) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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