SCHEMBL7074671

SCHEMBL7074671

CCCCS(=O)(=O)N1CCN(c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.56
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
TMPRSS6 Q8IU80 2/20 0.56
ST14 Q9Y5Y6 2/20 0.56
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
ITGB3 P05106 9/20 0.50
ITGA2B P08514 9/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.42
PLG P00747 1/20 0.42

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
SCHEMBL4994060 0.80 CHRNA7 (0.53) POLBKDM4E
SCHEMBL4810836 0.80 POLB (0.59) POLBKDM4E
SCHEMBL10722375 0.79 KMT2A (0.58) POLBKDM4E
SCHEMBL7076620 0.79 TSHR (0.57) ITGB3ITGA2BPOLBPLG
SCHEMBL7072198 0.78 F2 (0.53) F2PRSS1ITGB3ITGA2BPOLB
SCHEMBL12933008 0.77 POLB (0.57) POLBKDM4E
SCHEMBL13535055 0.77 POLB (0.57) POLBKDM4E
SCHEMBL4990283 0.76 CHRNA7 (0.58) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7072180 0.76 ITGB3 (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7386932 0.76 GRM2 (0.48) F2PRSS1PRSS2PRSS3ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed