SCHEMBL7089079

SCHEMBL7089079

O=C(O)C1CCN(c2cc(N3CCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 11/20 0.74
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 1/20 0.47
FFAR2 O15552 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7085406 0.87 SERPINE1 (0.77) SERPINE1MAPTNPSR1GAAMAPK1
SCHEMBL7087924 0.86 SERPINE1 (0.75) SERPINE1MAPTNPSR1GAACYP2C9
SCHEMBL7087964 0.85 SERPINE1 (1.00) SERPINE1MAPTNPSR1GAAMAPK1
SCHEMBL7084123 0.81 SERPINE1 (0.82) SERPINE1MAPTNPSR1MAPK1CYP2C9
SCHEMBL7088169 0.81 SERPINE1 (1.00) SERPINE1MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL7084109 0.79 SERPINE1 (0.82) SERPINE1MAPTNPSR1MAPK1CYP2C9
SCHEMBL7091396 0.79 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNA
SCHEMBL7089371 0.77 SERPINE1 (0.72) SERPINE1MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL7084175 0.77 SERPINE1 (0.77) SERPINE1MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL7084622 0.77 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1CYP2C9CYP2C19

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