SCHEMBL7368660

SCHEMBL7368660

NC(=O)Cn1c(Cl)c(Cc2ncccc2F)nc(NCC(F)(F)c2cccc[n+]2[O-])c1=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.62
PRSS1 P07477 1/20 0.48

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
SCHEMBL7372885 0.87 F2 (0.57) F2PRSS1
SCHEMBL7363166 0.84 F2 (0.48) F2PRSS1
Trifluoroacetic Acid SCHEMBL7364912 0.79 F2 (0.49) F2PRSS1
SCHEMBL7365971 0.79 F2 (0.54) F2PRSS1
SCHEMBL7372745 0.78 F2 (0.75) F2PRSS1
SCHEMBL7719594 0.77 F2 (1.00) F2PRSS1
SCHEMBL7451773 0.75 F2 (0.61) F2PRSS1
SCHEMBL7216987 0.73 F2 (0.63) F2PRSS1
Trifluoroacetic Acid SCHEMBL7364412 0.72 F2 (0.49) F2PRSS1
Hydrochloric Acid SCHEMBL7371422 0.72 F2 (0.79) F2PRSS1

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-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed