SCHEMBL7087986

SCHEMBL7087986

O=C(O)C1CCCN1c1ccc([N+](=O)[O-])c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 15/20 0.77
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7087664 0.90 SERPINE1 (0.88) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7084567 0.87 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7084136 0.87 SERPINE1 (0.81) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7087663 0.80 SERPINE1 (0.89) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7091388 0.78 SERPINE1 (0.68) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7091079 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7091093 0.77 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7091396 0.77 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7091114 0.75 SERPINE1 (0.77) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7087633 0.74 SERPINE1 (0.78) SERPINE1MAPTL3MBTL1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003080060-A1 SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed