SCHEMBL8492136

SCHEMBL8492136

CN(C)CCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(C(N)=O)cc3)[nH]c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.55
CHEK2 O96017 2/20 0.51
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
IKBKB O14920 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
DNM1 Q05193 1/20 0.44
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9015014 1.00 SERPINE1 (0.55) SERPINE1CHEK2BCHEACHEIKBKB
SCHEMBL8492151 1.00 SERPINE1 (0.55) SERPINE1CHEK2BCHEACHEIKBKB
SCHEMBL8495273 0.89 SERPINE1 (0.59) SERPINE1HRH3ALDH1A1DNM1MAOB
SCHEMBL8495305 0.89 SERPINE1 (0.59) SERPINE1HRH3ALDH1A1DNM1MAOB
SCHEMBL8492103 0.88 SERPINE1 (0.59) SERPINE1BCHEACHEHRH3ALDH1A1
SCHEMBL8492094 0.88 SERPINE1 (0.59) SERPINE1BCHEACHEHRH3ALDH1A1
SCHEMBL8496911 0.86 SERPINE1 (0.55) SERPINE1HRH3ALDH1A1DNM1MAOB
SCHEMBL8496917 0.86 SERPINE1 (0.55) SERPINE1HRH3ALDH1A1DNM1MAOB
SCHEMBL8495460 0.84 SERPINE1 (0.54) SERPINE1HRH3ALDH1A1DNM1MAOB
SCHEMBL8490817 0.84 SERPINE1 (0.60) SERPINE1HRH3ALDH1A1DNM1MAOB

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
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 US disclosed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed