SCHEMBL8426199

SCHEMBL8426199

CN(C)CCCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccc4ccccc4c3)[nH]c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 6/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.50
▸ PPARG P37231 1/20 0.48
▸ MAOB P27338 3/20 0.47
▸ TNKS O95271 1/20 0.47
▸ TNF P01375 1/20 0.45
▸ IL6 P05231 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ LSS P48449 1/20 0.45
▸ DNM1 Q05193 1/20 0.44

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
SCHEMBL8426195 1.00 SERPINE1 (0.55) SERPINE1HRH3PPARGMAOBTNKS
SCHEMBL8494225 0.89 SERPINE1 (0.67) SERPINE1HRH3MAOBTNFIL6
SCHEMBL6378369 0.89 SERPINE1 (0.67) SERPINE1HRH3MAOBTNFIL6
SCHEMBL8495273 0.89 SERPINE1 (0.59) SERPINE1HRH3MAOBTNFIL6
SCHEMBL8495305 0.89 SERPINE1 (0.59) SERPINE1HRH3MAOBTNFIL6
SCHEMBL8496917 0.86 SERPINE1 (0.55) SERPINE1HRH3MAOBKDM4EALDH1A1
SCHEMBL8496911 0.86 SERPINE1 (0.55) SERPINE1HRH3MAOBKDM4EALDH1A1
SCHEMBL8495145 0.85 SERPINE1 (0.54) SERPINE1HRH3MAOBTNKSTNF
SCHEMBL8495150 0.85 SERPINE1 (0.54) SERPINE1HRH3MAOBTNKSTNF
SCHEMBL8428821 0.85 SERPINE1 (0.51) SERPINE1HRH3MAOBTNKSTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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