SCHEMBL7084136

SCHEMBL7084136

O=C(O)C1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 16/20 0.81
NOTUM Q6P988 1/20 0.61
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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 0.93 SERPINE1 (0.89) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7091396 0.89 SERPINE1 (1.00) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7091388 0.87 SERPINE1 (0.68) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7087986 0.87 SERPINE1 (0.77) SERPINE1LMNAMAPTHTTL3MBTL1
SCHEMBL7085035 0.85 SERPINE1 (0.68) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7142564 0.84 SERPINE1 (0.66) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL4334462 0.84 NOTUM (0.85) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL30173256 0.84 NOTUM (0.85) SERPINE1NOTUMLMNAMAPTHTT
SCHEMBL7088169 0.80 SERPINE1 (1.00) SERPINE1NOTUMMAPTPOLBCYP2C9
SCHEMBL7091093 0.80 SERPINE1 (1.00) SERPINE1NOTUMLMNAMAPTHTT

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