SCHEMBL9706046

SCHEMBL9706046

CC(C)NCC(O)c1cccc(C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ADRB2 P07550 5/20 0.58
ADRB1 P08588 4/20 0.58
CYP1A2 P05177 3/20 0.58
ADRB3 P13945 3/20 0.58
MAPK1 P28482 3/20 0.58
CYP3A4 P08684 2/20 0.58
HIF1A Q16665 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 3/20 0.53
MTOR P42345 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ADRA1A P35348 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 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
SCHEMBL6666064 0.84 HIF1A (0.61) TSHRADRB2ADRB1CYP1A2ADRB3
SCHEMBL6680502 0.82 HIF1A (0.63) TSHRADRB2ADRB1CYP1A2ADRB3
SCHEMBL14535391 0.81 FAAH (0.45) TSHRADRB2ADRB1ADRB3HIF1A
SCHEMBL10606401 0.81 ADRB2 (0.50) TSHRADRB2ADRB1CYP1A2CYP3A4
SCHEMBL25933186 0.80 GLA (0.42) ADRA1AADRA1DADRA1B
SCHEMBL9646909 0.79 LMNA (0.52) HIF1ALMNADRD2ADRA1D
SCHEMBL27288216 0.78 ADRB2 (0.51) ADRB2ADRB3
SCHEMBL9821088 0.78 ADRB2 (0.54) TSHRADRB2ADRB1CYP1A2ADRB3
Metaterol SCHEMBL249460 0.78 HIF1A (0.70) TSHRADRB2ADRB1CYP1A2ADRB3
SCHEMBL4697927 0.77 S1PR1 (0.45) TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195397-A1 m-Cyanophenethanolamines as animal growth promoters and antilipogenic agents AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP claimed
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-4904662-A Raising of pigs ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
EP-0195397-B1 M-CYANOPHENETHANOLAMINES AS ANIMAL GROWTH PROMOTERS AND ANTILIPOGENIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-12-13 EP 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
EP-0195397-A1 m-Cyanophenethanolamines as animal growth promoters and antilipogenic agents AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP disclosed