SCHEMBL7360775

SCHEMBL7360775

N=C(N)c1ccc(CCN(CCCC(=O)O)c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.53
F10 P00742 5/20 0.53
PRSS1 P07477 10/20 0.52
PRSS2 P07478 10/20 0.52
PRSS3 P35030 10/20 0.52
F7 P08709 3/20 0.46
PLG P00747 2/20 0.46
PLAT P00750 2/20 0.46
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46

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
SCHEMBL7364863 0.93 F2 (0.50) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7362150 0.86 F2 (0.57) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7459282 0.85 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL7368089 0.80 F2 (0.48) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7454841 0.79 F2 (0.60) F2F10PRSS1PRSS2PRSS3
SCHEMBL7360126 0.78 F2 (0.71) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7363171 0.78 F2 (0.51) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7454428 0.78 F2 (0.74) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7458548 0.77 F2 (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL7363925 0.76 F2 (0.53) F2F10PRSS1PRSS2PRSS3

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 2 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 disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed