SCHEMBL9820965

SCHEMBL9820965

CC(=O)Nc1cc(F)c(C(O)CNC(C)C)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.58
ADRB1 P08588 8/20 0.58
ADRB3 P13945 7/20 0.58
ADRA1A P35348 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRK1 P41145 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL9820989 0.82 ADRB2 (0.40) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL11639709 0.80 ADRB2 (0.54) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL9820997 0.75 ADRB2 (0.67) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL1645001 0.71 HDAC1 (0.53) HDAC1HDAC6LMNA
SCHEMBL9821076 0.70 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1AADRA2A
Hydrochloric Acid SCHEMBL11641795 0.69 ADRB2 (0.53) ADRB2ADRB1ADRB3ADRA1ATSHR
SCHEMBL10485699 0.66 ADRB2 (0.65) ADRB2ADRB1ADRB3CYP2D6TSHR
SCHEMBL21685346 0.66 TSHR (0.48) TSHRMEN1KMT2AHDAC1HDAC6
SCHEMBL31257778 0.66 HDAC1 (0.45) TSHRHDAC1HDAC6
SCHEMBL13061726 0.66 CA1 (0.41) ADRB2ADRB1ADRB3TSHRCYP1A2

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