SCHEMBL8003548

SCHEMBL8003548

CC(=O)ON1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.47
PRSS2 P07478 9/20 0.47
PRSS3 P35030 9/20 0.47
F2 P00734 3/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
ITGB3 P05106 16/20 0.47
ITGA2B P08514 16/20 0.47
ALOX15 P16050 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 4/20 0.39

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
SCHEMBL7346439 0.79 ITGB3 (0.69) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL7080070 0.79 ITGB3 (0.69) PRSS1PRSS2PRSS3F2TMPRSS6
Acetic Acid SCHEMBL8003545 0.75 ITGB3 (0.50) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL2403330 0.68 F2 (1.00) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL8783409 0.67 ITGB3 (0.68) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL8783382 0.67 ITGB3 (0.68) PRSS1PRSS2PRSS3F2TMPRSS6
Hydrochloric Acid SCHEMBL8784282 0.67 ALOX15 (0.70) PRSS1PRSS2PRSS3F2TMPRSS6
Hydrochloric Acid SCHEMBL8687049 0.67 ALOX15 (0.52) PRSS1PRSS2PRSS3F2TMPRSS6
Hydrochloric Acid SCHEMBL8686726 0.67 ALOX15 (0.52) PRSS1PRSS2PRSS3F2TMPRSS6
Hydrochloric Acid SCHEMBL8783790 0.67 ALOX15 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000029019-A1 RESTORATION OF PLATELET AGGREGATION BY ANTIBODY ADMINISTRATION AFTER GPIIB/IIIA ANTAGONIST TREATMENT G.D. SEARLE & CO. (US) 2000-05-25 WO disclosed