SCHEMBL7216987

SCHEMBL7216987

NC(=O)Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.63
F10 P00742 2/20 0.63
PRSS1 P07477 1/20 0.49

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
SCHEMBL5854825 0.91 F2 (0.64) F2F10
SCHEMBL5856832 0.86 F2 (0.59) F2F10
SCHEMBL5475016 0.83 F2 (0.56) F2F10
SCHEMBL7372745 0.81 F2 (0.75) F2PRSS1
SCHEMBL7371327 0.79 F2 (0.73) F2F10PRSS1
SCHEMBL5858376 0.78 F2 (1.00) F2F10
Trifluoroacetic Acid SCHEMBL5856894 0.76 F2 (0.94) F2F10
SCHEMBL14508709 0.75 F2 (0.62) F2F10PRSS1
SCHEMBL5856139 0.75 F2 (1.00) F2F10PRSS1
SCHEMBL5855753 0.75 F2 (1.00) F2F10PRSS1

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-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed