SCHEMBL8723707

SCHEMBL8723707

C[C@H](N=CC(=O)O)C(=O)N1CCC[C@]1(C(=O)NCc1ccc(C(=N)N)cc1O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.35
PRSS1 P07477 3/20 0.32
TMPRSS15 P98073 3/20 0.32
F10 P00742 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL8727226 0.91 F2 (0.34) F2PRSS1TMPRSS15F10
SCHEMBL8933084 0.85 F2 (0.33) F2F10
SCHEMBL6477416 0.85 F2 (0.39) F2PRSS1F10ITGB3ITGA2B
SCHEMBL6483869 0.82 F2 (0.35) F2PRSS1F10ITGB3ITGA2B
SCHEMBL6477095 0.80 F2 (0.38) F2F10ITGB3ITGA2B
SCHEMBL8933063 0.77 P2RX7 (0.34) F2
SCHEMBL8721666 0.77 F2 (0.35) F2PRSS1F10
SCHEMBL6484699 0.76 PROC (0.42) F2PRSS1TMPRSS15F10ITGB3
SCHEMBL8781109 0.74 F2 (0.36) F2PRSS1F10
SCHEMBL8725900 0.74 F2 (0.31) F2

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