SCHEMBL7364860

SCHEMBL7364860

N=C(N)c1cccc(C(Cc2ccc(N)cc2)NCCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.48
F2 P00734 9/20 0.48
PRSS1 P07477 6/20 0.48
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
SOAT1 P35610 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.38

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
SCHEMBL7360769 0.94 F10 (0.52) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7368084 0.73 F10 (0.48) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7363743 0.73 F10 (0.56) F10F2PRSS1
SCHEMBL7368630 0.71 F10 (0.50) F10F2PRSS1
SCHEMBL7365691 0.70 F10 (0.86) F10F2PRSS1
SCHEMBL7364863 0.67 F2 (0.50) F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7451177 0.67 F10 (0.66) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7379216 0.67 ITGB3 (0.84) F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7453855 0.67 F10 (0.76) F10F2PRSS1
SCHEMBL289137 0.67 F10 (0.57) F10F2PRSS1ITGB3ITGA2B

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