SCHEMBL8855337

SCHEMBL8855337

COc1ccc(C(O)CNC(C)CCc2ccc(O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.82
ADRB3 P13945 7/20 0.70
ADRB1 P08588 6/20 0.70
SLC6A4 P31645 2/20 0.66
ADRA1A P35348 2/20 0.66
HTR1A P08908 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 2/20 0.53
PGR P06401 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD3 P35462 1/20 0.53

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
Ractopamine SCHEMBL28884309 0.92 ADRB2 (0.91) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Butopamine SCHEMBL122463 0.91 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Ractopamine SCHEMBL10659583 0.91 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Ractopamine SCHEMBL144797 0.91 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Ractopamine SCHEMBL9757702 0.91 ADRB2 (1.00) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Butopamine SCHEMBL351104 0.89 ADRB2 (0.97) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Ractopamine SCHEMBL11471317 0.89 ADRB2 (0.97) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Ractopamine SCHEMBL350754 0.89 ADRB2 (0.97) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Butopamine SCHEMBL11471316 0.89 ADRB2 (0.97) ADRB2ADRB3ADRB1SLC6A4ADRA1A
Ractopamine SCHEMBL8892153 0.89 ADRB2 (0.97) ADRB2ADRB3ADRB1SLC6A4ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691385-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
US-5643967-A ANIMAL GROWTH REGULATORS OF BETA-PHENETHANOLAMINES FOR FEED EFFICIENCY ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5631298-A B-PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1997-05-20 US disclosed
US-4992473-A Beta-phenethanolamines ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
US-4849453-A ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1989-07-18 US disclosed
EP-0117647-B1 IMPROVEMENTS IN OR RELATING TO PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-08-17 EP disclosed
US-4734437-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4690951-A B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS ELI LILLY AND COMPANY (US) 1987-09-01 US disclosed
EP-0117647-A1 Improvements in or relating to phenethanolamines ELI LILLY AND COMPANY (US) 1984-09-05 EP disclosed