SCHEMBL7410696

SCHEMBL7410696

O=C(O)Cn1c(CSc2ccccc2)cnc(NCCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.48
PRSS1 P07477 6/20 0.46
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL7409102 0.87 F2 (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL3238624 0.80 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL7374219 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL23461145 0.79 F2 (0.65) F2PRSS1F7F3PRSS2
SCHEMBL7410701 0.77 TP53 (0.37)
SCHEMBL23460571 0.75 F2 (0.49) F2PRSS1F7F3PRSS2
SCHEMBL23460555 0.74 F2 (0.58) F2PRSS1F7F3PRSS2
SCHEMBL23461147 0.73 F2 (0.56) F2PRSS1F7F3
SCHEMBL23461166 0.72 F2 (0.55) F2PRSS1F7F3PRSS2
SCHEMBL23460927 0.72 F2 (0.53) F2PRSS1F7F3PRSS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1079835-A4 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-29 EP disclosed
EP-1079835-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-03-07 EP disclosed
US-6147078-A SERINE PROTEASE INHIBITOR MERCK & CO., INC. (US) 2000-11-14 US disclosed
WO-1999059591-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-11-25 WO disclosed