SCHEMBL7360591

SCHEMBL7360591

CCOC(=O)CC(OCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.67
F2 P00734 16/20 0.67
PRSS1 P07477 9/20 0.67
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL7455464 0.80 F10 (1.00) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7458383 0.80 F10 (0.55) F10F2PRSS1
SCHEMBL7364895 0.79 F10 (0.54) F10F2PRSS1
SCHEMBL7359507 0.79 F10 (0.57) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8347404 0.77 F2 (0.55) F10F2PRSS1
SCHEMBL7360597 0.75 F10 (0.39) F10F2PRSS1
SCHEMBL7361747 0.75 FFAR1 (0.52) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7460186 0.74 F10 (0.51) F10F2PRSS1
SCHEMBL17700354 0.72 FFAR1 (0.45) F10F2PRSS1
SCHEMBL1044181 0.70 F2 (0.59) 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 6 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-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-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
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