SCHEMBL8855348

SCHEMBL8855348

CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.55
ADRB1 P08588 8/20 0.54
HIF1A Q16665 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR1A P08908 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NMUR2 Q9GZQ4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2C9 P11712 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
LMNA P02545 3/20 0.47
SLC6A4 P31645 3/20 0.47
OPRM1 P35372 3/20 0.47
SLC6A3 Q01959 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC22A1 O15245 1/20 0.47
CHRM2 P08172 1/20 0.47

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
Hydrochloric Acid SCHEMBL8855375 0.98 ADRB2 (0.56) ADRB2ADRB1HIF1AALDH1A1HTR1A
SCHEMBL11132431 0.93 ADRB2 (0.51) ADRB2ADRB1ADRB3
SCHEMBL11137221 0.93 ADRB2 (0.51) ADRB2ADRB1ADRB3
SCHEMBL10909213 0.93 ADRB2 (0.52) ADRB2ADRB1HIF1AALDH1A1HTR1A
SCHEMBL8855343 0.93 ADRB2 (0.52) ADRB2ADRB1HIF1AALDH1A1HTR1A
Hydrochloric Acid SCHEMBL11134717 0.92 ADRB2 (0.53) ADRB2ADRB1ADRB3
Bromide SCHEMBL11135620 0.92 ADRB2 (0.50) ADRB2ADRB1ADRB3
Bromide SCHEMBL8855307 0.92 ADRB2 (0.51) ADRB2ADRB1HIF1AALDH1A1HTR1A
Hydrochloric Acid SCHEMBL11134714 0.92 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL9706240 0.91 CASR (0.58) ADRB2ADRB1HIF1AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643967-A ANIMAL GROWTH REGULATORS OF BETA-PHENETHANOLAMINES FOR FEED EFFICIENCY ELI LILLY AND COMPANY (US) 1997-07-01 US claimed
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
EP-0225165-B1 USE OF PHENETHANOL AMINES TO IMPROVE FAT CONTENT OF SOWS' MILK ELI LILLY AND COMPANY (US) 1992-08-26 EP disclosed
US-4992473-A Beta-phenethanolamines ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
US-4904662-A Raising of pigs ELI LILLY AND COMPANY (US) 1990-02-27 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-0225165-A2 Use of phenethanol amines to improve fat content of sows' milk ELI LILLY AND COMPANY (US) 1987-06-10 EP disclosed