SCHEMBL7090413

SCHEMBL7090413

O=C(O)CNC(=O)C1CCN(c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 19/20 0.78
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7091396 0.88 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7087663 0.82 SERPINE1 (0.89) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091093 0.81 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7084567 0.79 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7088169 0.78 SERPINE1 (1.00) SERPINE1MAPT
SCHEMBL7084136 0.78 SERPINE1 (0.81) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7165057 0.77 SERPINE1 (1.00) SERPINE1MAPT
SCHEMBL7085504 0.77 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7087964 0.76 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7091901 0.76 SERPINE1 (0.71) SERPINE1LMNAMAPTHTTL3MBTL1

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