SCHEMBL9787764

SCHEMBL9787764

C[C@H](Cc1ccc(OCCOCCc2ccccc2)cc1)NC[C@@H](COC(=O)C(=O)OC[C@H](CN[C@H](C)Cc1ccc(OCCOCCc2ccccc2)cc1)c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.54
ADRB2 P07550 11/20 0.54
ADRB1 P08588 9/20 0.54
CYP2D6 P10635 2/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC2A1 P11166 4/20 0.54
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
HIF1A Q16665 1/20 0.51

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
Oxalic Acid SCHEMBL9787760 0.90 ADRB3 (0.56) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9787781 0.90 ADRB3 (0.58) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9787723 0.82 ACACB (0.51) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Oxalic Acid SCHEMBL9787777 0.80 ADRB3 (0.59) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL10840949 0.79 ADRB3 (0.81) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Alcohol SCHEMBL9787714 0.79 ACACB (0.48) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9787809 0.78 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL10775626 0.78 ADRB3 (0.86) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL11057567 0.76 ADRB3 (0.86) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Alcohol SCHEMBL9787806 0.76 ADRB3 (0.50) ADRB3ADRB1

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
US-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed