SCHEMBL7353174

SCHEMBL7353174

CC(C)COC(=O)CN1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
TMPRSS6 Q8IU80 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
ITGB3 P05106 12/20 0.48
ITGA2B P08514 12/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL7356492 0.87 F2 (0.52) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7355673 0.87 SMN1; SMN2 (0.46) SMN1; SMN2POLBGAATDP1ALDH1A1
SCHEMBL7346169 0.86 UBE2T (0.43) ITGB3ITGA2B
SCHEMBL7352886 0.83 ITGB3 (0.49) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7353169 0.82 ITGB3 (0.53) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL9371212 0.80 ITGB3 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7358257 0.80 ITGB3 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL9179090 0.75 ITGB3 (0.46) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7352203 0.75 PRSS1 (0.51) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7344477 0.74 ITGB3 (0.72) F2PRSS1PRSS2PRSS3TMPRSS6

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