SCHEMBL8304435

SCHEMBL8304435

CCCCC1=NC(C2CC2)=N[N+]1(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
AGTR1 P30556 3/20 0.37
PPARG P37231 2/20 0.36
ESR2 Q92731 1/20 0.35
AGTR2 P50052 2/20 0.34
APLNR P35414 2/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
GBA1 P04062 1/20 0.31
UGCG Q16739 1/20 0.31
GBA2 Q9HCG7 1/20 0.31

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
SCHEMBL8298329 0.84 ACHE (0.41) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8305290 0.80 PDE3B (0.40) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8303609 0.80 ACHE (0.38) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8300926 0.78 ACHE (0.37) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8304122 0.77 PPARG (0.43) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8304979 0.74
SCHEMBL2692039 0.69 PPARG (0.53) ACHEAGTR1PPARGESR2AGTR2
SCHEMBL8754394 0.67 ESR2 (0.41) ACHEPPARGESR2GRIA2GRIA4
SCHEMBL4820116 0.67 ESR2 (0.41) ACHEPPARGESR2GRIA2GRIA4
SCHEMBL4578614 0.66 GRM2 (0.42) ACHEPPARGESR2LMNAGBA1

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