SCHEMBL9820958

SCHEMBL9820958

CC(C)(C)NCC(O)c1cc(Cl)cc(C#N)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.46
HIF1A Q16665 4/20 0.46
ADRB1 P08588 2/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 2/20 0.46
BLM P54132 2/20 0.45
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
HTR1A P08908 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2A P08913 1/20 0.39

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
Hydrochloric Acid SCHEMBL9821006 0.99 BLM (0.47) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9820972 0.86 ADRB2 (0.48) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9821113 0.86 ADRB2 (0.41) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9821038 0.78 ADRB2 (0.51) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL10535066 0.77 ADRB2 (0.43) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9820974 0.73 ADRB2 (0.58) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9820963 0.73 LMNA (0.44) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL10534049 0.72 ADRB2 (0.43) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL10717339 0.70 NPSR1 (0.35)
SCHEMBL9821154 0.69 ADRB2 (0.43) ADRB2HIF1AADRB1CYP2D6NFKB1

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 2 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