SCHEMBL9821076

SCHEMBL9821076

CC(C)NCC(O)c1cc(F)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.64
ADRB1 P08588 7/20 0.64
ADRB3 P13945 6/20 0.64
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
MAPT P10636 2/20 0.45
MTOR P42345 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
ADRA1A P35348 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL10485699 0.79 ADRB2 (0.65) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL9641337 0.79 ADRB2 (0.54) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL953919 0.77 PDE2A (0.50) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9820997 0.75 ADRB2 (0.67) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL10484830 0.75 ADRB2 (0.59) ADRB2ADRB1ADRB3MAPTMTOR
SCHEMBL26326864 0.75 PSEN1 (0.39) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL23489620 0.74 CES2 (0.49) ADRB2ADRA2AADRA2BADRA2CMAPT
SCHEMBL20021547 0.74 CES2 (0.49) ADRB2ADRA2AADRA2BADRA2CMAPT
SCHEMBL7149087 0.74 ADRA2C (0.57) ADRB2ADRA2AADRA2BADRA2CMAPT
SCHEMBL265533 0.74 CES2 (0.52) ADRA2AADRA2BADRA2CMEN1KMT2A

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-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 claimed
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 claimed
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 claimed
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