SCHEMBL8303609

SCHEMBL8303609

CCCCC1=NC(c2ccc(F)cc2)=N[N+]1(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
NR3C1 P04150 1/20 0.38
AGTR1 P30556 3/20 0.37
PPARG P37231 2/20 0.36
ESR2 Q92731 1/20 0.35
APLNR P35414 2/20 0.35
AGTR2 P50052 2/20 0.34
SQOR Q9Y6N5 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
PTPN5 P54829 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL8305290 0.90 PDE3B (0.40) ACHEAGTR1PPARGESR2APLNR
SCHEMBL8300926 0.84 ACHE (0.37) ACHEAGTR1PPARGESR2APLNR
SCHEMBL8298329 0.84 ACHE (0.41) ACHEAGTR1PPARGESR2APLNR
SCHEMBL8304435 0.80 ACHE (0.40) ACHEAGTR1PPARGESR2APLNR
SCHEMBL8304122 0.77 PPARG (0.43) ACHEAGTR1PPARGESR2APLNR
SCHEMBL8521278 0.74
SCHEMBL7659922 0.70 AGTR1 (0.55) ACHEAGTR1PPARGAGTR2
SCHEMBL17955111 0.70 ESR2 (0.66) ACHENR3C1ESR2SQORPTPN5
SCHEMBL2692039 0.69 PPARG (0.53) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8305845 0.66 XDH (0.35) AGTR1

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
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed