SCHEMBL7999748

SCHEMBL7999748

N=C(N)c1cccc(CN2CCN(Cc3ccc4ccc(C(=N)N)cc4c3)CC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.51
F2 P00734 5/20 0.51
PLG P00747 3/20 0.48
PROC P04070 2/20 0.48
PLAU P00749 1/20 0.46
PRSS1 P07477 2/20 0.45
HPN P05981 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45

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
SCHEMBL7986928 1.00 F10 (0.51) F10F2PLGPROCPLAU
SCHEMBL7999904 0.94 F10 (0.53) F10F2PLGPROCPLAU
SCHEMBL7999994 0.93 MC4R (0.54) F10F2PLGPROCPLAU
SCHEMBL7999912 0.93 MC4R (0.54) F10F2PLGPROCPLAU
SCHEMBL8003193 0.92 F10 (0.58) F10F2PLGPLAUPRSS1
SCHEMBL7996092 0.92 F10 (0.58) F10F2PLGPLAUPRSS1
SCHEMBL7986943 0.91 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL7986749 0.91 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL8000015 0.91 F10 (0.53) F10F2PLGPROCPRSS1
SCHEMBL7996131 0.89 F10 (0.51) F10F2PLAUPRSS1HPN

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