SCHEMBL9821050

SCHEMBL9821050

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
ADRB2 P07550 5/20 0.53
TSHR P16473 3/20 0.53
HIF1A Q16665 3/20 0.53
CYP3A4 P08684 2/20 0.53
CASP7 P55210 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.53
ADRB1 P08588 2/20 0.48
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL9821088 0.81 ADRB2 (0.54) LMNAADRB2TSHRHIF1ACYP3A4
SCHEMBL9821054 0.80 ADRB2 (0.36) ADRB2TSHRHIF1ACYP3A4ADRB1
SCHEMBL10606401 0.78 ADRB2 (0.50) LMNAADRB2TSHRHIF1ACYP3A4
SCHEMBL16412380 0.77 SCN9A (0.43)
SCHEMBL16412382 0.77 SCN9A (0.43)
SCHEMBL10596908 0.75 GRM5 (0.34) KMT2AMEN1
SCHEMBL28310924 0.74 ADRB2 (0.52) ADRB2ADRB1SLC6A3
SCHEMBL10659323 0.74 ADRB2 (0.55) LMNAADRB2TSHRHIF1ACYP3A4
SCHEMBL11026693 0.74 ADRB2 (0.61) LMNAADRB2TSHRHIF1ACYP3A4
SCHEMBL9821113 0.73 ADRB2 (0.41) LMNAADRB2TSHRHIF1ACYP3A4

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 12 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
CN-110464724-A The method for treating autoimmunity, breathing and/or inflammatory conditions by sucking N-oxide of roflumilast INCOZEN THERAPEUTICS PVT LTD 2019-11-19 CN disclosed
CN-110403922-A The method for treating autoimmunity, breathing and/or inflammatory conditions by sucking N-oxide of roflumilast INCOZEN THERAPEUTICS PVT LTD 2019-11-05 CN disclosed
CN-106029140-B Inhalator 鲁平有限公司 2019-07-05 CN disclosed
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
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
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
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