SCHEMBL7368343

SCHEMBL7368343

O=c1[nH]c(Cl)c(Cc2cc(Cl)ccc2OCC(F)(F)F)nc1NCCc1cccc[n+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.56
PRSS1 P07477 1/20 0.32
F10 P00742 3/20 0.32
PTGER1 P34995 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7365091 0.75 F2 (0.39) F2
SCHEMBL7368453 0.74 F2 (0.47) F2PRSS1F10
SCHEMBL7367159 0.73 F2 (0.40) F2F10
SCHEMBL7369356 0.72 F2 (1.00) F2PRSS1
SCHEMBL7365971 0.65 F2 (0.54) F2PRSS1F10
SCHEMBL10987788 0.65 F2 (0.43) F2MEN1KMT2A
SCHEMBL7370558 0.65 F2 (0.43) F2F10
SCHEMBL10996688 0.64 F2 (0.38) F2PTGER1MEN1KMT2A
SCHEMBL7362729 0.64 F2 (0.46) F2PRSS1
SCHEMBL7361749 0.63 F2 (0.48) 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-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