SCHEMBL9820997

SCHEMBL9820997

CC(C)NCC(O)c1cc(F)c(N)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.67
ADRB1 P08588 8/20 0.67
ADRB3 P13945 7/20 0.67
ADRA1A P35348 3/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
TSHR P16473 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.41
MTOR P42345 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL9820956 0.79 ADRB2 (0.48) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL10661589 0.76 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1ATSHR
SCHEMBL9821076 0.75 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1AADRA2A
Hydrochloric Acid SCHEMBL11641431 0.75 ADRB2 (0.62) ADRB2ADRB1ADRB3ADRA1ATSHR
SCHEMBL8281098 0.75 ADRB2 (0.35) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL9820965 0.75 ADRB2 (0.58) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL9820979 0.73 ADRB2 (0.49) ADRB2ADRB1ADRB3ADRA1ATSHR
SCHEMBL10485699 0.71 ADRB2 (0.65) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL19151612 0.70 ADRB2 (0.38) ADRB2ADRA1AADRA2AADRA2BADRA2C
SCHEMBL18925630 0.70 EIF4A3 (0.36) HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 US disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed