SCHEMBL9821113

SCHEMBL9821113

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.41
HIF1A Q16665 4/20 0.41
ADRB1 P08588 2/20 0.41
CYP2D6 P10635 2/20 0.41
NFKB1 P19838 2/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
CASP7 P55210 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
HTR1A P08908 2/20 0.40
BLM P54132 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
MAOA P21397 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 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
SCHEMBL9820958 0.86 ADRB2 (0.46) ADRB2HIF1AADRB1CYP2D6NFKB1
Hydrochloric Acid SCHEMBL9821006 0.85 BLM (0.47) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9821104 0.82 ADRB2 (0.49) ADRB2HIF1AADRB1NFKB1LMNA
SCHEMBL9821038 0.81 ADRB2 (0.51) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL10535066 0.79 ADRB2 (0.43) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9821039 0.76 TRPV4 (0.30)
SCHEMBL9820963 0.75 LMNA (0.44) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL10715919 0.74 ADRB2 (0.35) ADRB2ADRB1TSHRCYP3A4CYP1A2
SCHEMBL10534049 0.74 ADRB2 (0.43) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL9821165 0.74 CYP11B1 (0.39) ADRB2ADRB1

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 7 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
US-4792546-A PLANT GROWTH HORMONE AND HYDROXYAMINE FEED ADDITIVE AMERICAN CYANAMID COMPANY (US) 1988-12-20 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