SCHEMBL7352203

SCHEMBL7352203

CCOC(=O)C(C)N1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
F2 P00734 3/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 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
SCHEMBL7342234 0.86 ITGB3 (0.59) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL7347645 0.84 F2 (0.58) PRSS1PRSS2PRSS3F2TMPRSS6
Iodomethane SCHEMBL9367655 0.84 ITGB3 (0.57) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL7356492 0.80 F2 (0.52) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL25409382 0.79 GAA (0.49) KDM4ELMNAGAAMAPTALOX15
SCHEMBL7353174 0.75 F2 (0.49) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL7336222 0.75 ITGB3 (0.46) ITGB3ITGA2BKDM4ELMNAGAA
SCHEMBL7441356 0.73 ITGB3 (0.57) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL23384130 0.72 ALDH1A1 (0.54) KDM4ELMNAGAAMAPT
SCHEMBL7352886 0.72 ITGB3 (0.49) PRSS1PRSS2PRSS3F2TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP disclosed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 WO disclosed