SCHEMBL7986749

SCHEMBL7986749

N=C(N)c1ccc(CN2CCN(Cc3cccc(C(=N)N)c3)C(=O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.56
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
HPN P05981 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
F2 P00734 4/20 0.45
HGFAC Q04756 1/20 0.45
APP P05067 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PLG P00747 1/20 0.44
PROC P04070 1/20 0.44

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
SCHEMBL7986943 1.00 F10 (0.56) F10ITGB3ITGA2BHPNPRSS1
SCHEMBL8000015 0.95 F10 (0.53) F10ITGB3ITGA2BHPNPRSS1
SCHEMBL7999935 0.94 F10 (0.56) F10ITGB3ITGA2BHPNPRSS1
SCHEMBL7999748 0.91 F10 (0.51) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7986928 0.91 F10 (0.51) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7999835 0.90 F10 (0.58) F10ITGB3ITGA2BHPNPRSS1
SCHEMBL7986780 0.90 F10 (0.62) F10ITGB3ITGA2BHPNPRSS1
SCHEMBL1651299 0.88 F10 (0.55) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7996092 0.87 F10 (0.58) F10ITGB3ITGA2BHPNPRSS1
SCHEMBL8003193 0.87 F10 (0.58) F10ITGB3ITGA2BHPNPRSS1

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