SCHEMBL8428368

SCHEMBL8428368

CN(C)CCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccoc3)[nH]c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 6/20 0.51
▸ MAOB P27338 4/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ APP P05067 1/20 0.47
▸ DNM1 Q05193 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ IL6 P05231 1/20 0.42

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
SCHEMBL8428374 1.00 SERPINE1 (0.51) SERPINE1MAOBHRH3APPDNM1
SCHEMBL8424976 0.94 SERPINE1 (0.49) SERPINE1MAOBHRH3MAOA
SCHEMBL8424982 0.94 SERPINE1 (0.49) SERPINE1MAOBHRH3MAOA
SCHEMBL8495305 0.91 SERPINE1 (0.59) SERPINE1MAOBHRH3DNM1KDM4E
SCHEMBL8495273 0.91 SERPINE1 (0.59) SERPINE1MAOBHRH3DNM1KDM4E
SCHEMBL8496911 0.88 SERPINE1 (0.55) SERPINE1MAOBHRH3DNM1KDM4E
SCHEMBL8496917 0.88 SERPINE1 (0.55) SERPINE1MAOBHRH3DNM1KDM4E
SCHEMBL8490810 0.86 SERPINE1 (0.60) SERPINE1MAOBHRH3DNM1KDM4E
SCHEMBL6378369 0.86 SERPINE1 (0.67) SERPINE1MAOBHRH3DNM1TNF
SCHEMBL8495460 0.86 SERPINE1 (0.54) SERPINE1MAOBHRH3DNM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP claimed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO claimed
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 — — US disclosed
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
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