SCHEMBL7091396

SCHEMBL7091396

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 18/20 1.00
NOTUM Q6P988 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL7087663 0.94 SERPINE1 (0.89) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7091093 0.90 SERPINE1 (1.00) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7088169 0.89 SERPINE1 (1.00) SERPINE1NOTUMMAPT
SCHEMBL7084136 0.89 SERPINE1 (0.81) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7090413 0.88 SERPINE1 (0.78) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7165057 0.87 SERPINE1 (1.00) SERPINE1MAPT
SCHEMBL7084567 0.86 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7087964 0.85 SERPINE1 (1.00) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7089371 0.84 SERPINE1 (0.72) SERPINE1MAPT
SCHEMBL7084123 0.82 SERPINE1 (0.82) SERPINE1LMNAMAPTHTT

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