SCHEMBL9820979

SCHEMBL9820979

CC(C)NCC(O)c1cc(F)c(N)c(C#N)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.49
ADRB1 P08588 9/20 0.49
ADRB3 P13945 7/20 0.49
TSHR P16473 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.37
ADRA1A P35348 2/20 0.37
MAPT P10636 2/20 0.35
MTOR P42345 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10533247 0.88 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL9820963 0.83 LMNA (0.44) ADRB2ADRB1TSHRCYP3A4HIF1A
SCHEMBL9820983 0.81 ADRB2 (0.56) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL10533254 0.78 ADRB2 (0.51) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL10658170 0.75 ADRB2 (0.64) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL9821104 0.74 ADRB2 (0.49) ADRB2ADRB1ADRB3TSHRCYP1A2
Hydrochloric Acid SCHEMBL10879505 0.74 ADRB2 (0.62) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL9821018 0.74 ADRB2 (0.47) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL9820997 0.73 ADRB2 (0.67) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL10534049 0.72 ADRB2 (0.43) ADRB2ADRB1ADRB3TSHRCYP3A4

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