SCHEMBL7367187

SCHEMBL7367187

N=C(N)Nc1ccc(CCCCC(CC(=O)O)c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.68
F2 P00734 15/20 0.59
PRSS1 P07477 12/20 0.59
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48

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
SCHEMBL7454985 0.89 F10 (0.75) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451754 0.87 F10 (0.70) F10F2PRSS1
SCHEMBL7366763 0.82 F10 (0.76) F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7451177 0.82 F10 (0.66) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7457516 0.82 F10 (0.82) F10F2PRSS1
Hydrochloric Acid SCHEMBL7361309 0.80 F10 (0.98) F10F2PRSS1
SCHEMBL7365691 0.79 F10 (0.86) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7458805 0.78 F10 (0.56) F10F2PRSS1
SCHEMBL7363395 0.77 F10 (0.83) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7463837 0.77 F10 (0.67) F10F2PRSS1ITGB3ITGA2B

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-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP claimed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO claimed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed