SCHEMBL7368115

SCHEMBL7368115

CCc1c[nH]c(=O)c(NCC(F)(F)c2cccc[n+]2[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.43
F10 P00742 5/20 0.43

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
SCHEMBL7370788 0.87 F2 (0.45) F2
SCHEMBL7364331 0.72 F2 (0.53) F2
SCHEMBL7361749 0.71 F2 (0.48) F2
SCHEMBL7362729 0.70 F2 (0.46) F2
SCHEMBL7368453 0.68 F2 (0.47) F2F10
SCHEMBL7365971 0.68 F2 (0.54) F2F10
SCHEMBL7403262 0.65 F2 (0.63) F2
SCHEMBL5856832 0.64 F2 (0.59) F2F10
SCHEMBL7239599 0.64 F2 (0.44) F2F10
SCHEMBL5854825 0.64 F2 (0.64) F2F10

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