SCHEMBL8305889

SCHEMBL8305889

CCCCC1NC(C)(CCCC)NN1c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
ESR2 Q92731 1/20 0.36
PPARG P37231 2/20 0.36
AGTR1 P30556 4/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
APLNR P35414 2/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
PTPN5 P54829 1/20 0.33
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.31
AGTR2 P50052 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
SCHEMBL8330503 0.69 ACHE (0.38) ACHEESR2PPARGAGTR1APLNR
SCHEMBL8300801 0.68 ACHE (0.41) ACHEESR2PPARGAGTR1APLNR
SCHEMBL5411252 0.68 AGTR1 (0.43) ACHEESR2PPARGAGTR1LTB4R2
SCHEMBL9402468 0.67 ACHE (0.44) ACHEESR2PPARGAGTR1LTB4R2
SCHEMBL8300512 0.67 ACHE (0.37) ACHEESR2PPARGAGTR1APLNR
Decane SCHEMBL9620442 0.66 ESR2 (0.53) ACHEESR2PPARGAGTR1GRIA2
Octane SCHEMBL9620215 0.66 ESR2 (0.53) ACHEESR2PPARGAGTR1GRIA2
SCHEMBL7649207 0.66 ACHE (0.47) ACHEPPARGAGTR1LTB4R2APLNR
SCHEMBL10589349 0.66 PPARG (0.47) ACHEESR2PPARGAGTR1GRIA2
SCHEMBL9682387 0.66 AGTR1 (0.43) ACHEESR2PPARGAGTR1LTB4R2

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