SCHEMBL7996275

SCHEMBL7996275

N=C(N)c1cccc(CN2C(=O)CN(S(=O)(=O)c3ccc4ccccc4c3)CC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.58
PLG P00747 9/20 0.55
PROC P04070 2/20 0.55
F2 P00734 4/20 0.49
PLAU P00749 3/20 0.48
PRSS1 P07477 1/20 0.48
F12 P00748 1/20 0.47
KLKB1 P03952 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47

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
SCHEMBL7999717 0.92 F10 (0.57) F10PLGPROCF2
SCHEMBL7999864 0.90 F10 (0.59) F10PLGPROCF2PRSS1
SCHEMBL7996279 0.90 F10 (0.46) F10PLGPROCF2PRSS1
SCHEMBL7997631 0.87 F10 (0.63) F10PLGPROCF2PRSS1
SCHEMBL7999868 0.80 F10 (0.74) F10PLGPROCF2
Hydrochloric Acid SCHEMBL6895363 0.79 F10 (0.73) F10PLGPROCF2
SCHEMBL7996139 0.79 F10 (0.54) F10PLGPROCF2
SCHEMBL7997641 0.79 F10 (0.58) F10PLGPROCF2PRSS1
SCHEMBL7986939 0.78 F10 (0.66) F10PLGPROCF2PRSS1
SCHEMBL1651311 0.78 F10 (0.65) F10PLGPROCF2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO claimed
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed