SCHEMBL8727239

SCHEMBL8727239

N=C(N)c1ccc(CNC(=O)[C@]2(CC(O)Cc3ccccc3)CCCN2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.46
PROC P04070 4/20 0.45
TPSAB1 Q15661 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
KLKB1 P03952 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40

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
SCHEMBL8723792 0.86 TPSAB1 (0.46) F2PROCTPSAB1F7F3
SCHEMBL8727289 0.85 F2 (0.47) F2PROCTPSAB1F7
SCHEMBL7355230 0.71 F2 (0.44) F2PROCTMPRSS6
SCHEMBL7362891 0.71 F2 (0.44) F2PROCF7F3TMPRSS6
SCHEMBL7362804 0.70 F2 (0.44) F2PROCF7F3KLKB1
SCHEMBL7050535 0.70 F2 (0.44) F2PROCTPSAB1
SCHEMBL8023156 0.69 F2 (0.48) F2PROCTMPRSS6
SCHEMBL8019344 0.69 ITGB3 (0.44) F2PROCTMPRSS6
SCHEMBL7708062 0.65 F2 (0.57) F2PROCTPSAB1F7TMPRSS6
SCHEMBL7316950 0.64 F2 (0.51) F2PROCTPSAB1F7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed