SCHEMBL7457516

SCHEMBL7457516

COC(=O)CC(CCc1ccc(NC(=N)N)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.82
F2 P00734 17/20 0.82
PRSS1 P07477 12/20 0.82

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 0.93 F10 (0.75) F10F2PRSS1
SCHEMBL7454445 0.91 F10 (1.00) F10F2PRSS1
SCHEMBL8343396 0.87 F10 (0.84) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451754 0.83 F10 (0.70) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8345839 0.82 F10 (0.87) F10F2PRSS1
SCHEMBL7367187 0.82 F10 (0.68) F10F2PRSS1
SCHEMBL7455464 0.80 F10 (1.00) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8345456 0.80 F10 (0.90) F10F2PRSS1
SCHEMBL7366763 0.78 F10 (0.76) F10F2PRSS1
SCHEMBL7365365 0.78 F10 (1.00) F10F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP claimed
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed