SCHEMBL7091079

SCHEMBL7091079

O=C(O)C1CCCN1c1c([N+](=O)[O-])ccc(F)c1CNc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

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
SCHEMBL7091010 0.89 SERPINE1 (1.00) SERPINE1
SCHEMBL7085542 0.86 SERPINE1 (0.93) SERPINE1
SCHEMBL7084567 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7087986 0.78 SERPINE1 (0.77) SERPINE1
SCHEMBL7088324 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7087664 0.76 SERPINE1 (0.88) SERPINE1
SCHEMBL7084542 0.75 SERPINE1 (1.00) SERPINE1
SCHEMBL7087872 0.71 SERPINE1 (1.00) SERPINE1
SCHEMBL7084183 0.70 SERPINE1 (1.00) SERPINE1
SCHEMBL7084136 0.69 SERPINE1 (0.81) 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