SCHEMBL7996090

SCHEMBL7996090

N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3ccc4c(Cl)cccc4c3)CC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.57
F2 P00734 3/20 0.49
PLG P00747 3/20 0.49
PLAT P00750 1/20 0.49
PRSS1 P07477 1/20 0.49
PROC P04070 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL7997638 0.93 F10 (0.61) F10F2PLGPLATPRSS1
SCHEMBL8003156 0.88 F10 (0.61) F10F2PLGPRSS1PROC
Hydrochloric Acid SCHEMBL6896958 0.87 F10 (0.61) F10F2PLGPRSS1PROC
SCHEMBL1303308 0.85 F10 (0.71) F10F2
Hydrochloric Acid SCHEMBL6895022 0.84 F10 (0.70) F10F2
SCHEMBL7986949 0.82 F10 (0.58) F10F2
SCHEMBL7996139 0.81 F10 (0.54) F10F2PLGPROC
SCHEMBL7999873 0.81 F10 (0.61) F10F2PLGPLATPRSS1
SCHEMBL7999868 0.81 F10 (0.74) F10F2PLGPROC
SCHEMBL7986862 0.81 F10 (0.57) F10F2PRSS1

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