SCHEMBL8495273

SCHEMBL8495273

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.59
HRH3 Q9Y5N1 3/20 0.53
DNM1 Q05193 2/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 2/20 0.50
LSS P48449 1/20 0.48
TNF P01375 1/20 0.47
IL6 P05231 1/20 0.47

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
SCHEMBL8495305 1.00 SERPINE1 (0.59) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL8496911 0.96 SERPINE1 (0.55) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL8496917 0.96 SERPINE1 (0.55) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL6378369 0.95 SERPINE1 (0.67) SERPINE1HRH3DNM1MAOBLSS
SCHEMBL8490817 0.95 SERPINE1 (0.60) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL8494225 0.95 SERPINE1 (0.67) SERPINE1HRH3DNM1MAOBLSS
SCHEMBL8490810 0.95 SERPINE1 (0.60) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL8495460 0.95 SERPINE1 (0.54) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL8495452 0.95 SERPINE1 (0.54) SERPINE1HRH3DNM1KDM4EALDH1A1
SCHEMBL8497379 0.94 SERPINE1 (0.53) SERPINE1HRH3DNM1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 US claimed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP claimed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO claimed
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 US disclosed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP disclosed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed