SCHEMBL7087875

SCHEMBL7087875

O=C(O)c1ccc(CNc2cc(C(F)(F)F)c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 17/20 0.77
POLB P06746 1/20 0.51
ENPP2 Q13822 1/20 0.46

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
SCHEMBL7088278 0.87 SERPINE1 (0.86) SERPINE1POLB
SCHEMBL7087862 0.85 SERPINE1 (0.58) SERPINE1ENPP2
SCHEMBL7088416 0.83 SERPINE1 (0.59) SERPINE1POLBENPP2
SCHEMBL7089096 0.82 SERPINE1 (0.62) SERPINE1
SCHEMBL7084474 0.82 SERPINE1 (1.00) SERPINE1POLB
SCHEMBL7084140 0.79 SERPINE1 (0.64) SERPINE1
SCHEMBL7087872 0.78 SERPINE1 (1.00) SERPINE1
SCHEMBL7088054 0.77 SERPINE1 (0.82) SERPINE1POLB
SCHEMBL30883140 0.77 SERPINE1 (0.61) SERPINE1POLBENPP2
SCHEMBL7091835 0.76 SERPINE1 (0.80) SERPINE1POLB

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