SCHEMBL3373414

SCHEMBL3373414

CCCCNP(N)(=NP(N)(N)=O)NCCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ALOX15 P16050 1/20 0.33
FDPS P14324 3/20 0.32
MMP1 P03956 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.31
SMPD1 P17405 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL3370494 0.87 ANPEP (0.31) MMP2MMP1ANPEP
SCHEMBL3372484 0.79 TSHR (0.31) CA1CA2TSHRGRIN2DGRIN3B
SCHEMBL28500663 0.75 MMP2 (0.41) MMP2CA1CA2ALOX15FDPS
SCHEMBL2589834 0.75
SCHEMBL6832394 0.73 MMP2 (0.40) MMP2CA1CA2ALOX15FDPS
SCHEMBL5702606 0.71
SCHEMBL10795682 0.69 MMP2 (0.44) MMP2CA1CA2ALOX15MMP1
SCHEMBL4797826 0.69 ALDH1A1 (0.43) ADH1BADH1CADH1AADH7TSHR
SCHEMBL10873346 0.67 S1PR2 (0.45) ADH1BADH1CADH1AADH7TSHR
SCHEMBL10877503 0.67 S1PR2 (0.45) ADH1BADH1CADH1AADH7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756125-B1 1,1,3,3,3-PENTAAMINO-1-OXO/THIO-1LAMBDA5,3LAMBDA5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA PIESTERITZ STICKSTOFF (DE) 2010-11-10 EP disclosed
EP-1756125-A1 1,1,3,3,3-PENTAAMINO-1LAMBDA5,3LAMBDA5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA SKW STICKSTOFFWERKE PIESTERITZ GmbH (DE) 2007-02-28 EP disclosed
WO-2005118602-A1 1,1,3,3,3-PENTAAMINO-1λ5,3λ5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA SKW STICKSTOFFWERKE PIESTERITZ GMBH (DE) 2005-12-15 WO disclosed