SCHEMBL9821088

SCHEMBL9821088

CC(C)NCC(O)c1cc(F)cc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.54
ADRB1 P08588 6/20 0.54
ADRB3 P13945 5/20 0.54
TSHR P16473 4/20 0.51
HIF1A Q16665 2/20 0.51
ADRA1A P35348 2/20 0.51
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 2/20 0.46
APEX1 P27695 1/20 0.46
MAPT P10636 3/20 0.44
MTOR P42345 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9821054 0.84 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL9821050 0.81 LMNA (0.53) ADRB2ADRB1TSHRHIF1AADRA1A
SCHEMBL16412382 0.78 SCN9A (0.43)
SCHEMBL16412380 0.78 SCN9A (0.43)
SCHEMBL9706046 0.78 TSHR (0.58) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL26463822 0.77 CYP11B1 (0.37)
SCHEMBL10596908 0.76 GRM5 (0.34) MEN1KMT2A
SCHEMBL12262985 0.73 GRM5 (0.41)
SCHEMBL10658170 0.73 ADRB2 (0.64) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL25632952 0.73 SOS1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195396-B1 5-FLUOROBENZONITRILE DERIVATIVES AND PHARMACOLOGICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF FOR INCREASING THE LEAN MEAT TO FAT RATIO, AND/OR ENHANCING THE GROWTH RATE OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1989-03-01 EP claimed
US-4614746-A 5-fluorobenzonitrile derivatives for increasing the lean meat to fat ratio and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-30 US claimed
EP-0195396-A1 5-Fluorobenzonitrile derivatives and pharmacologically acceptable acid addition salts thereof for increasing the lean meat to fat ratio, and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-24 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-0195396-B1 5-FLUOROBENZONITRILE DERIVATIVES AND PHARMACOLOGICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF FOR INCREASING THE LEAN MEAT TO FAT RATIO, AND/OR ENHANCING THE GROWTH RATE OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1989-03-01 EP 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
US-4614746-A 5-fluorobenzonitrile derivatives for increasing the lean meat to fat ratio and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-30 US disclosed
EP-0195396-A1 5-Fluorobenzonitrile derivatives and pharmacologically acceptable acid addition salts thereof for increasing the lean meat to fat ratio, and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP disclosed