SCHEMBL9468427

SCHEMBL9468427

COc1ccccc1-c1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.67
ADRB3 P13945 16/20 0.66
ADRB1 P08588 13/20 0.66
ADRB2 P07550 10/20 0.66
GLA P06280 1/20 0.62
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL9468325 0.87 SLC2A1 (0.79) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7149375 0.87 ADRB3 (0.81) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7207154 0.87 ADRB3 (0.81) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7149376 0.87 ADRB3 (0.81) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL9468287 0.86 ADRB3 (0.64) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL9468401 0.85 SLC2A1 (0.81) SLC2A1ADRB3ADRB1ADRB2GLA
Hydrochloric Acid SCHEMBL4474512 0.85 ADRB3 (0.77) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7148487 0.85 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7211873 0.85 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA
SCHEMBL7148491 0.85 SLC2A1 (0.69) SLC2A1ADRB3ADRB1ADRB2GLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232946-A Promoting weight gain and reduction of blood sugar and fat deposits in animals, feed efficiency DR. KARL THOMAE GMBH (DE) 1993-08-03 US disclosed
EP-0375791-A1 Phenyl ethanol amines, their use as pharmaceutical compounds and as performance stimulants in animals, as well as processes for their preparation BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 1990-07-04 EP disclosed