SCHEMBL7362903

SCHEMBL7362903

CCOC(=O)CN(CCCCc1ccc(N)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.56
PRSS1 P07477 14/20 0.56
PRSS2 P07478 12/20 0.56
PRSS3 P35030 12/20 0.56
F10 P00742 8/20 0.56
PLG P00747 2/20 0.56
PLAT P00750 2/20 0.56
F7 P08709 2/20 0.56

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
Trifluoroacetic Acid SCHEMBL7454966 0.95 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363931 0.89 F2 (0.55) F2PRSS1PRSS2PRSS3F10
SCHEMBL7361079 0.88 F2 (0.69) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363749 0.87 F2 (0.59) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463044 0.83 F2 (0.72) F2PRSS1PRSS2PRSS3F10
SCHEMBL7368439 0.83 PDCD1 (0.40) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365871 0.83 F2 (0.69) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7450712 0.82 F2 (0.67) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463140 0.80 F2 (0.72) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365136 0.76 F2 (0.42) F2PRSS1PRSS2PRSS3F10

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