SCHEMBL8933554

SCHEMBL8933554

CC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCc1nc(-c3ccccc3)cn1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.41
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
OPRK1 P41145 4/20 0.39
DRD3 P35462 2/20 0.39
GHSR Q92847 2/20 0.39
PDE4D Q08499 2/20 0.39
CYP3A4 P08684 2/20 0.39
SLC22A1 O15245 1/20 0.39
ABCB11 O95342 1/20 0.39
CCKBR P32239 1/20 0.39
MC3R P41968 1/20 0.39
SLC6A9 P48067 1/20 0.36
TP53 P04637 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL8933423 0.92 PTAFR (0.38) PTAFRGABRA1GABRA5GABRA2GABRB2
Hydrochloric Acid SCHEMBL8933589 0.90 SYK (0.39) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL8933412 0.87 PTAFR (0.45) PTAFRGABRA1GABRA5GABRA2GABRB2
Hydrochloric Acid SCHEMBL8933404 0.87 PTAFR (0.39) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL8933353 0.85 PTAFR (0.42) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL8933595 0.85 PTAFR (0.44) PTAFRGABRA1GABRA5GABRA2GABRB2
Hydrochloric Acid SCHEMBL8933629 0.85 PTAFR (0.43) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL8933497 0.85 PTAFR (0.41) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL8933630 0.83 PTAFR (0.39) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL8933536 0.80 PTAFR (0.44) PTAFRGABRA1GABRA5GABRA2GABRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed