SCHEMBL8727289

SCHEMBL8727289

N=C(N)c1ccc(CNC(=O)[C@]2(CC(O)CC3CCCCC3)CCCN2CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.47
PROC P04070 2/20 0.47
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
TPSAB1 Q15661 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39

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
SCHEMBL8727239 0.85 F2 (0.46) F2PROCF7TPSAB1
SCHEMBL8723792 0.81 TPSAB1 (0.46) F2PROCF10F7TPSAB1
SCHEMBL7310191 0.69 F2 (0.47) F2PROCF10F7TPSAB1
Hydrochloric Acid SCHEMBL7953834 0.68 F2 (0.46) F2PROCF7TPSAB1PRSS1
SCHEMBL7050535 0.68 F2 (0.44) F2PROCTPSAB1
SCHEMBL7304476 0.67 F2 (0.47) F2PROCTPSAB1PRSS1PRSS2
SCHEMBL7400135 0.67 F2 (0.61) F2PROCF10F7PRSS1
Hydrochloric Acid SCHEMBL7958396 0.67 F2 (0.60) F2PROCF10F7PRSS1
Acetic Acid SCHEMBL6475875 0.67 F2 (0.75) F2F10
Hydrochloric Acid SCHEMBL7953102 0.67 F2 (0.47) F2PROCTPSAB1PRSS1PRSS2

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