SCHEMBL7367192

SCHEMBL7367192

NN=CNc1ccc(CCCCC(CC(=O)O)c2cccc(C=NN)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.42
F2 P00734 10/20 0.41
PRSS1 P07477 9/20 0.41
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ITGAV P06756 3/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ITGB6 P18564 2/20 0.33
ITGB8 P26012 2/20 0.33

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
SCHEMBL7459388 0.91 F10 (0.52) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451765 0.88 F10 (0.45) F10F2PRSS1CA1CA2
SCHEMBL7454990 0.86 F10 (0.35) F10F2PRSS1ITGAVITGB3
SCHEMBL7457522 0.83 F10 (0.53) F10F2PRSS1
SCHEMBL7366768 0.83 F10 (0.52) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451183 0.83 F10 (0.41) F10F2PRSS1CA1CA2
SCHEMBL7361417 0.81 F10 (0.52) F10F2PRSS1CA1CA2
Hydrochloric Acid SCHEMBL7361312 0.81 F10 (0.54) F10F2PRSS1CA1CA2
SCHEMBL7459521 0.81 F10 (0.39) F10F2PRSS1
SCHEMBL7365693 0.80 F10 (0.53) F10F2PRSS1CA1CA2

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