SCHEMBL8428821

SCHEMBL8428821

CN(C)CCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccc4ccccc34)[nH]c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 6/20 0.51
▸ TNF P01375 1/20 0.47
▸ IL6 P05231 1/20 0.47
▸ MAOB P27338 4/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ HTR1B P28222 2/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL8428828 1.00 SERPINE1 (0.51) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8496375 0.86 SERPINE1 (0.54) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8496368 0.86 SERPINE1 (0.54) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8494225 0.85 SERPINE1 (0.67) SERPINE1TNFIL6MAOBHRH3
SCHEMBL6378369 0.85 SERPINE1 (0.67) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8495305 0.85 SERPINE1 (0.59) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8495273 0.85 SERPINE1 (0.59) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8495240 0.85 SERPINE1 (0.53) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8496410 0.85 SERPINE1 (0.53) SERPINE1TNFIL6MAOBHRH3
SCHEMBL8495252 0.85 SERPINE1 (0.53) SERPINE1TNFIL6MAOBHRH3

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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