SCHEMBL9821054

SCHEMBL9821054

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HIF1A Q16665 1/20 0.33
ADRA1A P35348 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33

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 0.84 ADRB2 (0.54) ADRB2ADRB1ADRB3TSHRCYP1A2
SCHEMBL9821050 0.80 LMNA (0.53) ADRB2ADRB1TSHRCYP1A2CYP3A4
SCHEMBL26463822 0.80 CYP11B1 (0.37)
SCHEMBL16412380 0.77 SCN9A (0.43) SCN9A
SCHEMBL16412382 0.77 SCN9A (0.43) SCN9A
SCHEMBL10596908 0.75 GRM5 (0.34) SCN5ASCN9A
SCHEMBL12262985 0.72 GRM5 (0.41)
SCHEMBL22166132 0.70 PGR (0.37)
SCHEMBL23525972 0.70 GRM5 (0.36)
SCHEMBL16958513 0.70 GRM5 (0.36)

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 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