SCHEMBL7087984

SCHEMBL7087984

COc1cccc(CNc2cc(C(F)(F)F)c(N3CCC(C(=O)OC(C)(C)C)CC3)cc2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1Oc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 20/20 0.73

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
SCHEMBL7084535 0.90 SERPINE1 (0.69) SERPINE1
SCHEMBL7088465 0.85 SERPINE1 (0.80) SERPINE1
SCHEMBL1421137 0.84 SERPINE1 (1.00) SERPINE1
SCHEMBL7089625 0.83 SERPINE1 (0.72) SERPINE1
SCHEMBL7090422 0.83 SERPINE1 (0.73) SERPINE1
SCHEMBL7088443 0.80 SERPINE1 (0.90) SERPINE1
SCHEMBL7089111 0.76 SERPINE1 (0.72) SERPINE1
SCHEMBL7087684 0.75 SERPINE1 (0.68) SERPINE1
SCHEMBL7085026 0.75 SERPINE1 (0.69) SERPINE1
SCHEMBL7088054 0.75 SERPINE1 (0.82) 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