SCHEMBL7027166

SCHEMBL7027166

COCCN(Cc1cccc(CCNc2nc(Cl)c(C)n(CC(=O)O)c2=O)c1)C(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.52
F2 P00734 7/20 0.44
F7 P08709 6/20 0.44
F3 P13726 6/20 0.44
PRSS1 P07477 2/20 0.44
F10 P00742 1/20 0.37

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
SCHEMBL7027931 0.91 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7021153 0.86 F2 (0.46) F2PRSS1
SCHEMBL7027598 0.82 TPSAB1 (0.54) TPSAB1F2F7F3PRSS1
Hydrochloric Acid SCHEMBL7022577 0.81 TPSAB1 (0.53) TPSAB1F2F7F3PRSS1
SCHEMBL7020338 0.79 TPSAB1 (0.56) TPSAB1F2F7F3PRSS1
SCHEMBL7027983 0.78 F2 (0.56) TPSAB1F2F7F3PRSS1
SCHEMBL3242830 0.77 F2 (0.66) TPSAB1F2F7F3PRSS1
SCHEMBL7021593 0.74 TPSAB1 (0.53) TPSAB1F2F7F3PRSS1
SCHEMBL7021053 0.73 TPSAB1 (0.51) TPSAB1F2F7F3PRSS1
SCHEMBL7020341 0.73 TPSAB1 (0.51) TPSAB1F2F7F3PRSS1

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed