SCHEMBL7091010

SCHEMBL7091010

O=C(O)C1CCN(c2c([N+](=O)[O-])ccc(F)c2CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 20/20 1.00

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
SCHEMBL7085542 0.97 SERPINE1 (0.93) SERPINE1
SCHEMBL7091079 0.89 SERPINE1 (1.00) SERPINE1
SCHEMBL7088324 0.87 SERPINE1 (1.00) SERPINE1
SCHEMBL7084542 0.83 SERPINE1 (1.00) SERPINE1
SCHEMBL7084136 0.79 SERPINE1 (0.81) SERPINE1
SCHEMBL7091396 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7085035 0.78 SERPINE1 (0.68) SERPINE1
SCHEMBL7087663 0.76 SERPINE1 (0.89) SERPINE1
SCHEMBL7091388 0.74 SERPINE1 (0.68) SERPINE1
SCHEMBL7087872 0.72 SERPINE1 (1.00) SERPINE1

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