SCHEMBL7999734

SCHEMBL7999734

CC(C)(C)NS(=O)(=O)c1ccccc1-c1cccc(C(=O)N2CCN(Cc3ccc(C(=N)N)cc3)C(=O)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PRSS1 P07477 7/20 0.39
PLG P00747 2/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL7996082 0.92 GPR119 (0.42) F10CYP46A1HRH3PRSS1GPR119
Trifluoroacetic Acid SCHEMBL7997792 0.85 PRSS1 (0.52) F10PRSS1F2
SCHEMBL7997696 0.83 F10 (0.44) F10PRSS1GPR119
SCHEMBL7999919 0.81 CYP46A1 (0.39) CYP46A1HRH3
Trifluoroacetic Acid SCHEMBL7997619 0.77 PRSS1 (0.52) F10PRSS1F2
SCHEMBL7999929 0.76 HRH3 (0.52) F10CYP46A1HRH3PRSS1F2
SCHEMBL7996357 0.75 NPC1 (0.54) F10HRH3PRSS1PLGF2
SCHEMBL7987038 0.73 F10 (0.54) F10CYP46A1HRH3PRSS1PLG
SCHEMBL7997768 0.70 NPC1 (0.49) F10HRH3PRSS1PLGF2
SCHEMBL7986949 0.67 F10 (0.58) F10F2

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