SCHEMBL3667557

SCHEMBL3667557

CCCNc1ccc(C(=N)N)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.72
F2 P00734 4/20 0.70
PRSS2 P07478 4/20 0.70
PRSS3 P35030 4/20 0.70
TMPRSS6 Q8IU80 3/20 0.70
ST14 Q9Y5Y6 3/20 0.70
F10 P00742 1/20 0.49
F7 P08709 1/20 0.49
KLK1 P06870 1/20 0.45
KLK5 Q9Y337 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
SCHEMBL3875680 0.88 PRSS1 (0.84) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL13716049 0.84 PRSS1 (0.66) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL5524345 0.84 PRSS1 (1.00) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17515720 0.82 PRSS1 (0.75) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL22182052 0.81 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10694847 0.81 SMN1; SMN2 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL20001656 0.80 PRSS1 (0.66) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL12348324 0.79 PRSS1 (0.70) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6339014 0.79 MAPT (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL12461511 0.79 PRSS1 (0.82) PRSS1F2PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170846-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS Intervet International BV (NL) 2010-04-07 EP disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
US-7459442-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-12-02 US disclosed
WO-2007123949-A2 CANNABINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-11-01 WO disclosed
EP-1819684-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2007-08-22 EP disclosed
WO-2006060461-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2006-06-08 WO disclosed